2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

C12H10N2O4S — CID 12689382

IUPAC2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1-c1csc(NC(=O)C(=O)O)n1
InChIInChI=1S/C12H10N2O4S/c1-18-9-5-3-2-4-7(9)8-6-19-12(13-8)14-10(15)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyNFOJVWWALQCJSR-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.84
Rot. Bonds3

About 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 12689382) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID12689382
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1-c1csc(NC(=O)C(=O)O)n1
InChIInChI=1S/C12H10N2O4S/c1-18-9-5-3-2-4-7(9)8-6-19-12(13-8)14-10(15)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15)
InChIKeyNFOJVWWALQCJSR-UHFFFAOYSA-N
XLogP1.84
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46969790
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 12689382) is 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is COc1ccccc1-c1csc(NC(=O)C(=O)O)n1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is NFOJVWWALQCJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-18-9-5-3-2-4-7(9)8-6-19-12(13-8)14-10(15)11(16)17/h2-6H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 278.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 12689382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).