3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

C12H10N2O3S2 — CID 79684734

IUPAC3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESCc1csc(NC(=O)c2csc(C=CC(=O)O)c2)n1
InChIInChI=1S/C12H10N2O3S2/c1-7-5-19-12(13-7)14-11(17)8-4-9(18-6-8)2-3-10(15)16/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyZHKRLQFTGNHBNS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.86
Rot. Bonds4

About 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (PubChem CID 79684734) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
PubChem CID79684734
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
SMILESCc1csc(NC(=O)c2csc(C=CC(=O)O)c2)n1
InChIInChI=1S/C12H10N2O3S2/c1-7-5-19-12(13-7)14-11(17)8-4-9(18-6-8)2-3-10(15)16/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyZHKRLQFTGNHBNS-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 81459540
3-[4-[(3-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683617
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 25237547
3-[4-(tert-butylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79684255
3-[4-[(2-methylpyrazol-3-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692102
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
N-(4-methyl-1,3-thiazol-2-yl)-5-propylthiophene-3-carboxamide
CID 25237549
3-[4-(1H-pyrazol-4-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79684085
3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683843
3-[4-[(3-chlorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79684651
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid (CID 79684734) is 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is Cc1csc(NC(=O)c2csc(C=CC(=O)O)c2)n1.
What is the InChIKey of 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
The InChIKey is ZHKRLQFTGNHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c1-7-5-19-12(13-7)14-11(17)8-4-9(18-6-8)2-3-10(15)16/h2-6H,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid?
3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid has a molecular weight of 294.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 79684734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).