5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid

C9H7NO2S2 — CID 131191331

IUPAC5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)s2)sn1
InChIInChI=1S/C9H7NO2S2/c1-5-4-8(14-10-5)6-2-3-7(13-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyAYQYJFSYDANFNL-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

About 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid

5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid (PubChem CID 131191331) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
PubChem CID131191331
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)s2)sn1
InChIInChI=1S/C9H7NO2S2/c1-5-4-8(14-10-5)6-2-3-7(13-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyAYQYJFSYDANFNL-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methyl-1,2-thiazol-5-yl)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

Related Compounds

5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
4-(3-methyl-1,2-thiazol-5-yl)benzoic acid
CID 82615707
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid
CID 18801314
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
CID 81224038
5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
CID 90124228
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
CID 142287345
ethane;3-methyl-5-phenyl-1,2-thiazole
CID 142845689
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981
5-(5-hydroxy-3-pyridinyl)thiophene-2-carboxylic acid
CID 18801324
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid (CID 131191331) is 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)s2)sn1.
What is the InChIKey of 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is AYQYJFSYDANFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-4-8(14-10-5)6-2-3-7(13-6)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid?
5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 131191331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).