2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C12H11NO2S — CID 14318557

IUPAC2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CO
InChIInChI=1S/C12H11NO2S/c1-8-11(10(15)7-14)16-12(13-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3
InChIKeyCKZSWPBAMZRQJB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.29
Rot. Bonds3

About 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 14318557) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID14318557
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CO
InChIInChI=1S/C12H11NO2S/c1-8-11(10(15)7-14)16-12(13-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3
InChIKeyCKZSWPBAMZRQJB-UHFFFAOYSA-N
XLogP2.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
2-(2,3-dichlorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 3798863
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 1477677
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 14318557) is 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccc2)sc1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is CKZSWPBAMZRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-11(10(15)7-14)16-12(13-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 233.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 14318557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).