5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid

C12H12N2O3S2 — CID 60721950

IUPAC5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)c1csc(NC(=O)c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H12N2O3S2/c1-6(2)7-5-18-12(13-7)14-10(15)8-3-4-9(19-8)11(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyGRGNRSIFEORRSC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds4

About 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 60721950) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID60721950
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC(C)c1csc(NC(=O)c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H12N2O3S2/c1-6(2)7-5-18-12(13-7)14-10(15)8-3-4-9(19-8)11(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyGRGNRSIFEORRSC-UHFFFAOYSA-N
XLogP3.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid (CID 60721950) is 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid is CC(C)c1csc(NC(=O)c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is GRGNRSIFEORRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6(2)7-5-18-12(13-7)14-10(15)8-3-4-9(19-8)11(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60721950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).