N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide , CAS No.5245-66-9

CAS: 5245-66-9 Cat. No.: N668518 Molecular Weight: 281.3
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Synonyms
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide | N-(4-Phenylthiazol-2-yl)isonicotinamide | CBMicro_015073 | Cambridge id 5245669 | Oprea1_303023 | Oprea1_553111 | DTXSID30355050 | BDBM50255300 | STK483947 | AKOS000569765 | BIM-0015234.P001 | Z2777206
Storage
Room temperature
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1mg
N668518-1mg
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$571.90

$999.90
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5mg
N668518-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-(4-phenyl-1, 3-thiazol-2-yl)pyridine-4-carboxamide | N-(4-Phenylthiazol-2-yl)isonicotinamide | CBMicro_015073 | Cambridge id 5245669 | Oprea1_303023 | Oprea1_553111 | DTXSID30355050 | BDBM50255300 | STK483947 | AKOS000569765 | BIM-0015234.P001 | Z2777206
Storage
Room temperature
Product Properties
ALogP2.7
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=NC=C3
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
InChIKeyPUUUVNHZQJNJSV-UHFFFAOYSA-N
INCHI1S/C15H11N3OS/c19-14(12-6-8-16-9-7-12)18-15-17-13(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,17,18,19)
Isomeric SMILES C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=NC=C3
Molecular Weight 281.3
Reaxy-Rn 246397
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=246397&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxamides
Alternative Parents 2,4-disubstituted thiazoles  Benzene and substituted derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridinecarboxamide - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight281.300 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass281.062 Da
Monoisotopic Mass281.062 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity327.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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