Synonyms

157459-71-7|2,3-dihydroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde|2,3-Dihydroimidazo[2,1-b]thiazole-6-carbaldehyde|Imidazo[2,1-b]thiazole-6-carboxaldehyde, 2,3-dihydro- (9CI)|SCHEMBL925818|DTXSID80459719|JSUDYMLJEPHJCU-UHFFFAOYSA-N|MFCD11553079|AKOS005073

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

157459-71-7 | 2, 3-dihydroimidazo[2, 1-b][1, 3]thiazole-6-carbaldehyde | 2, 3-Dihydroimidazo[2, 1-b]thiazole-6-carbaldehyde | Imidazo[2, 1-b]thiazole-6-carboxaldehyde, 2, 3-dihydro- (9CI) | SCHEMBL925818 | DTXSID80459719 | JSUDYMLJEPHJCU-UHFFFAOYSA-N | MFCD11553079 | AKOS005073

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1CSC2=NC(=CN21)C=O
• IUPAC Name: 2,3-dihydroimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
• InChIKey: JSUDYMLJEPHJCU-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h3-4H,1-2H2
• Isomeric SMILES: C1CSC2=NC(=CN21)C=O
• Molecular Weight: 154.19
• Reaxy-Rn: 10334798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10334798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazothiazoles
• Alternative Parents: Carbonylimidazoles Aryl-aldehydes Alkylarylthioethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazothiazole - Aryl thioether - Imidazole-4-carbonyl group - Aryl-aldehyde - Alkylarylthioether - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazothiazoles. These are organic polycyclic compounds containing an imidazole ring fused to a thiazole ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 154.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.02 Da
• Monoisotopic Mass: 154.02 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1