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

C13H13NO3S — CID 61288983

IUPAC1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(-c2nc(C)c(C(C)=O)s2)cc1O
InChIInChI=1S/C13H13NO3S/c1-7-12(8(2)15)18-13(14-7)9-4-5-11(17-3)10(16)6-9/h4-6,16H,1-3H3
InChIKeyMKYMUDLXHJGZSR-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.04
Rot. Bonds3

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

1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 61288983) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID61288983
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(-c2nc(C)c(C(C)=O)s2)cc1O
InChIInChI=1S/C13H13NO3S/c1-7-12(8(2)15)18-13(14-7)9-4-5-11(17-3)10(16)6-9/h4-6,16H,1-3H3
InChIKeyMKYMUDLXHJGZSR-UHFFFAOYSA-N
XLogP3.04
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 27698476
5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 136690611
(5-acetyl-2-methoxyphenyl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512568
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 61288983) is 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(-c2nc(C)c(C(C)=O)s2)cc1O.
What is the InChIKey of 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is MKYMUDLXHJGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-7-12(8(2)15)18-13(14-7)9-4-5-11(17-3)10(16)6-9/h4-6,16H,1-3H3.
What are the key properties of 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 263.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 61288983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).