1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone

C12H12N2O2S — CID 169101363

IUPAC1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N2O2S/c1-7-11(8(2)15)17-12(13-7)14-9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14)
InChIKeyUXTNVQUBBMWAKY-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 169101363) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID169101363
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(O)cc2)nc1C
InChIInChI=1S/C12H12N2O2S/c1-7-11(8(2)15)17-12(13-7)14-9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14)
InChIKeyUXTNVQUBBMWAKY-UHFFFAOYSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
CID 13162308
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5068079
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
CID 51132603
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 169101363) is 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc(O)cc2)nc1C.
What is the InChIKey of 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is UXTNVQUBBMWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-11(8(2)15)17-12(13-7)14-9-3-5-10(16)6-4-9/h3-6,16H,1-2H3,(H,13,14).
What are the key properties of 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 248.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 169101363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).