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

C12H11NO2S — CID 166892998

IUPAC1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1ccc(-c2cnc(C(C)=O)s2)cc1
InChIInChI=1S/C12H11NO2S/c1-8(14)12-13-7-11(16-12)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChIKeyFVNHKZXGDVCEFL-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.02
Rot. Bonds3

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

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 166892998) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID166892998
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1ccc(-c2cnc(C(C)=O)s2)cc1
InChIInChI=1S/C12H11NO2S/c1-8(14)12-13-7-11(16-12)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChIKeyFVNHKZXGDVCEFL-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
CID 53272462
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone (CID 166892998) is 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is COc1ccc(-c2cnc(C(C)=O)s2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is FVNHKZXGDVCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8(14)12-13-7-11(16-12)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone?
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 233.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 166892998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).