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

C11H9NO2S2 — CID 70797674

IUPAC5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid
SMILESCc1nc(C=Cc2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C11H9NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeySASGLSIMIOJNDN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds3

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

5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid (PubChem CID 70797674) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid
PubChem CID70797674
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid
SMILESCc1nc(C=Cc2ccc(C(=O)O)s2)cs1
InChIInChI=1S/C11H9NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeySASGLSIMIOJNDN-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]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-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid (CID 70797674) is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid is Cc1nc(C=Cc2ccc(C(=O)O)s2)cs1.
What is the InChIKey of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is SASGLSIMIOJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-7-12-8(6-15-7)2-3-9-4-5-10(16-9)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid?
5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70797674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).