2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

C12H9ClN2O3S — CID 677044

IUPAC2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H9ClN2O3S/c13-9-4-2-1-3-8(9)11(18)15-12-14-7(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyMBBKORPBNSPVEM-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 677044) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID677044
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Name2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H9ClN2O3S/c13-9-4-2-1-3-8(9)11(18)15-12-14-7(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyMBBKORPBNSPVEM-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic 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 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 677044) is 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MBBKORPBNSPVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-9-4-2-1-3-8(9)11(18)15-12-14-7(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18).
What are the key properties of 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 296.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 677044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).