3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid

C14H14N2O3S — CID 75482713

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
SMILESCc1nc(C)c(CNC(=O)c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C14H14N2O3S/c1-8-12(20-9(2)16-8)7-15-13(17)10-4-3-5-11(6-10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQZLQRFMZYTXZGN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.39
Rot. Bonds4

About 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid (PubChem CID 75482713) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
PubChem CID75482713
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
SMILESCc1nc(C)c(CNC(=O)c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C14H14N2O3S/c1-8-12(20-9(2)16-8)7-15-13(17)10-4-3-5-11(6-10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQZLQRFMZYTXZGN-UHFFFAOYSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]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

Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
CID 171908662
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid (CID 75482713) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid is Cc1nc(C)c(CNC(=O)c2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid?
The InChIKey is QZLQRFMZYTXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-12(20-9(2)16-8)7-15-13(17)10-4-3-5-11(6-10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 75482713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).