2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid

C22H16N2O3S — CID 70031085

IUPAC2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCN(C(=O)c1ccccc1C(=O)O)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H16N2O3S/c1-24(20(25)17-8-4-5-9-18(17)21(26)27)22-23-19(13-28-22)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,26,27)
InChIKeyHQPKXGFVVKKOOC-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.94
Rot. Bonds4

About 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid

2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (PubChem CID 70031085) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
PubChem CID70031085
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESCN(C(=O)c1ccccc1C(=O)O)c1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H16N2O3S/c1-24(20(25)17-8-4-5-9-18(17)21(26)27)22-23-19(13-28-22)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,26,27)
InChIKeyHQPKXGFVVKKOOC-UHFFFAOYSA-N
XLogP4.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]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-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175846
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414
3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-(thiophen-2-ylmethyl)amino]propanoic acid
CID 59520167
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
naphthalene;phthalic acid
CID 158069637
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (CID 70031085) is 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is CN(C(=O)c1ccccc1C(=O)O)c1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The InChIKey is HQPKXGFVVKKOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-24(20(25)17-8-4-5-9-18(17)21(26)27)22-23-19(13-28-22)16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3,(H,26,27).
What are the key properties of 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid has a molecular weight of 388.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 70031085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).