2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid

C12H12N2O4S — CID 2893049

IUPAC2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid
SMILESCN(C1=NC(=O)C(CC(=O)O)S1)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4S/c1-14(7-2-4-8(15)5-3-7)12-13-11(18)9(19-12)6-10(16)17/h2-5,9,15H,6H2,1H3,(H,16,17)
InChIKeyPHBRSGZUWIRFFP-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.30
Rot. Bonds3

About 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid

2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid (PubChem CID 2893049) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid
PubChem CID2893049
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid
SMILESCN(C1=NC(=O)C(CC(=O)O)S1)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O4S/c1-14(7-2-4-8(15)5-3-7)12-13-11(18)9(19-12)6-10(16)17/h2-5,9,15H,6H2,1H3,(H,16,17)
InChIKeyPHBRSGZUWIRFFP-UHFFFAOYSA-N
XLogP1.30
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid (CID 2893049) is 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid is CN(C1=NC(=O)C(CC(=O)O)S1)c1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PHBRSGZUWIRFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-14(7-2-4-8(15)5-3-7)12-13-11(18)9(19-12)6-10(16)17/h2-5,9,15H,6H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-N-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2893049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).