4-(1,3-thiazol-2-ylamino)benzoic acid

C10H8N2O2S — CID 956695

IUPAC4-(1,3-thiazol-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C10H8N2O2S/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h1-6H,(H,11,12)(H,13,14)
InChIKeyGPYBLNWAFHKECC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.58
Rot. Bonds3

About 4-(1,3-thiazol-2-ylamino)benzoic acid

4-(1,3-thiazol-2-ylamino)benzoic acid (PubChem CID 956695) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylamino)benzoic acid
PubChem CID956695
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(1,3-thiazol-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C10H8N2O2S/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h1-6H,(H,11,12)(H,13,14)
InChIKeyGPYBLNWAFHKECC-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-thiazol-2-ylamino)benzoic 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 4-(1,3-thiazol-2-ylamino)benzoic acid?
The IUPAC name of 4-(1,3-thiazol-2-ylamino)benzoic acid (CID 956695) is 4-(1,3-thiazol-2-ylamino)benzoic acid.
What is the SMILES notation for 4-(1,3-thiazol-2-ylamino)benzoic acid?
The canonical SMILES for 4-(1,3-thiazol-2-ylamino)benzoic acid is O=C(O)c1ccc(Nc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-ylamino)benzoic acid?
The InChIKey is GPYBLNWAFHKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(14)7-1-3-8(4-2-7)12-10-11-5-6-15-10/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 4-(1,3-thiazol-2-ylamino)benzoic acid?
4-(1,3-thiazol-2-ylamino)benzoic acid has a molecular weight of 220.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylamino)benzoic acid is sourced from PubChem (CID 956695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).