2-(benzamidomethyl)-1,3-thiazole-4-carboxylate

C12H9N2O3S- — CID 7140214

IUPAC2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
SMILESO=C(NCc1nc(C(=O)[O-])cs1)c1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-11(8-4-2-1-3-5-8)13-6-10-14-9(7-18-10)12(16)17/h1-5,7H,6H2,(H,13,15)(H,16,17)/p-1
InChIKeySBSNAWQRPBIPFE-UHFFFAOYSA-M
MW261.28 g/mol
LogP0.44
Rot. Bonds4

About 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate

2-(benzamidomethyl)-1,3-thiazole-4-carboxylate (PubChem CID 7140214) has the molecular formula C12H9N2O3S- and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
PubChem CID7140214
Molecular FormulaC12H9N2O3S-
Molecular Weight261.28 g/mol
Exact Mass261.03
IUPAC Name2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
SMILESO=C(NCc1nc(C(=O)[O-])cs1)c1ccccc1
InChIInChI=1S/C12H10N2O3S/c15-11(8-4-2-1-3-5-8)13-6-10-14-9(7-18-10)12(16)17/h1-5,7H,6H2,(H,13,15)(H,16,17)/p-1
InChIKeySBSNAWQRPBIPFE-UHFFFAOYSA-M
XLogP0.44
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate 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

2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379283
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
2-[(indolizine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 91645018
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244941
2-[(1,3-benzothiazole-6-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379878
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490

Frequently Asked Questions

What is the IUPAC name of 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate (CID 7140214) is 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate is O=C(NCc1nc(C(=O)[O-])cs1)c1ccccc1.
What is the InChIKey of 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SBSNAWQRPBIPFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N2O3S/c15-11(8-4-2-1-3-5-8)13-6-10-14-9(7-18-10)12(16)17/h1-5,7H,6H2,(H,13,15)(H,16,17)/p-1.
What are the key properties of 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate?
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7140214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).