1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C12H11NO3S — CID 728377

IUPAC1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(O)cc2O)n1
InChIInChI=1S/C12H11NO3S/c1-7-6-17-12(13-7)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,6,14-15H,5H2,1H3
InChIKeyWGJPTRBWBYISKU-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.29
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 728377) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID728377
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(O)cc2O)n1
InChIInChI=1S/C12H11NO3S/c1-7-6-17-12(13-7)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,6,14-15H,5H2,1H3
InChIKeyWGJPTRBWBYISKU-UHFFFAOYSA-N
XLogP2.29
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850
1-(2,4-dihydroxy-5-pentylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 4005972
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 728377) is 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2ccc(O)cc2O)n1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WGJPTRBWBYISKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-6-17-12(13-7)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,6,14-15H,5H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 249.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 728377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).