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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=CC(=C(S1)NC(=O)CC2C(=O)N(C(=NC)S2)C)C(=O)OC |
|---|---|
| IUPAC Name | methyl 5-ethyl-2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate |
| InChIKey | RYFDPSFBQBOYFS-UHFFFAOYSA-N |
| INCHI | 1S/C15H19N3O4S2/c1-5-8-6-9(14(21)22-4)12(23-8)17-11(19)7-10-13(20)18(3)15(16-2)24-10/h6,10H,5,7H2,1-4H3,(H,17,19) |
| Molecular Weight | 369.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids and derivatives |
| Alternative Parents | N-arylamides 2,3,5-trisubstituted thiophenes Vinylogous amides Thiazolidines Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - N-arylamide - 2,3,5-trisubstituted thiophene - Thiazolidine - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Carboximidamide - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). |
| External Descriptors | Not available |
| Molecular Weight | 369.500 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 369.082 Da |
| Monoisotopic Mass | 369.082 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 555.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
