2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid

C22H14ClN3O5S — CID 162648714

IUPAC2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1nc(Oc2cccc(Cl)c2)sc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H14ClN3O5S/c23-14-6-3-7-16(11-14)31-22-26-18(25-20(28)21(29)30)17(32-22)19(27)24-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,24,27)(H,25,28)(H,29,30)
InChIKeyGVBFCZYNTFMWCX-UHFFFAOYSA-N
MW467.89 g/mol
LogP5.02
Rot. Bonds5

About 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid

2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid (PubChem CID 162648714) has the molecular formula C22H14ClN3O5S and a molecular weight of 467.89 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid
PubChem CID162648714
Molecular FormulaC22H14ClN3O5S
Molecular Weight467.89 g/mol
Exact Mass467.03
IUPAC Name2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1nc(Oc2cccc(Cl)c2)sc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H14ClN3O5S/c23-14-6-3-7-16(11-14)31-22-26-18(25-20(28)21(29)30)17(32-22)19(27)24-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,24,27)(H,25,28)(H,29,30)
InChIKeyGVBFCZYNTFMWCX-UHFFFAOYSA-N
XLogP5.02
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.89
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic 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

2-[[2-(3-methylphenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid
CID 132578564
2-[[2-(2-methoxyphenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid
CID 162657790
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198357
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
3-chloro-N-naphthalen-2-ylphenanthro[9,10-b]thiophene-2-carboxamide
CID 10320895
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 12894430
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid (CID 162648714) is 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid is O=C(O)C(=O)Nc1nc(Oc2cccc(Cl)c2)sc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid?
The InChIKey is GVBFCZYNTFMWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O5S/c23-14-6-3-7-16(11-14)31-22-26-18(25-20(28)21(29)30)17(32-22)19(27)24-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,24,27)(H,25,28)(H,29,30).
What are the key properties of 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid?
2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid has a molecular weight of 467.89 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 162648714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).