2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid

C13H12N2O3S — CID 113424571

IUPAC2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1ncc(C(=O)Nc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-14-7-11(19-8)13(18)15-10-4-2-9(3-5-10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyPEAASMUCNWFNID-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid

2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 113424571) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
PubChem CID113424571
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1ncc(C(=O)Nc2ccc(CC(=O)O)cc2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-14-7-11(19-8)13(18)15-10-4-2-9(3-5-10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyPEAASMUCNWFNID-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

N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110861936
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
2-[2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 103790076
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid (CID 113424571) is 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid is Cc1ncc(C(=O)Nc2ccc(CC(=O)O)cc2)s1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is PEAASMUCNWFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-14-7-11(19-8)13(18)15-10-4-2-9(3-5-10)6-12(16)17/h2-5,7H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
2-[4-[(2-methyl-1,3-thiazole-5-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-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 113424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).