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

C13H14N2O3S — CID 82065111

IUPAC2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(O)ccc1Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O3S/c1-7-5-9(16)3-4-10(7)15-13-14-8(2)11(19-13)6-12(17)18/h3-5,16H,6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeySQBNHTFNOZFOBB-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.84
Rot. Bonds4

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

2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82065111) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82065111
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1cc(O)ccc1Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C13H14N2O3S/c1-7-5-9(16)3-4-10(7)15-13-14-8(2)11(19-13)6-12(17)18/h3-5,16H,6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeySQBNHTFNOZFOBB-UHFFFAOYSA-N
XLogP2.84
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic 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-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
3-[2-(4-iodo-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162042
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[4-methyl-2-(4-propan-2-ylanilino)-1,3-thiazol-5-yl]acetic acid
CID 82065114
3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162004
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82065111) is 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1cc(O)ccc1Nc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SQBNHTFNOZFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-5-9(16)3-4-10(7)15-13-14-8(2)11(19-13)6-12(17)18/h3-5,16H,6H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82065111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).