2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid

C13H12N2O3S — CID 65199403

IUPAC2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1nc(C(=O)Nc2ccccc2CC(=O)O)cs1
InChIInChI=1S/C13H12N2O3S/c1-8-14-11(7-19-8)13(18)15-10-5-3-2-4-9(10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyOUTDGZUVCUPVMI-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid

2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 65199403) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID65199403
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1nc(C(=O)Nc2ccccc2CC(=O)O)cs1
InChIInChI=1S/C13H12N2O3S/c1-8-14-11(7-19-8)13(18)15-10-5-3-2-4-9(10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyOUTDGZUVCUPVMI-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
CID 65214345
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47450900
2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 95171393
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid (CID 65199403) is 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid is Cc1nc(C(=O)Nc2ccccc2CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is OUTDGZUVCUPVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-14-11(7-19-8)13(18)15-10-5-3-2-4-9(10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 276.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65199403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).