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

C13H12FNO2S — CID 55120486

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)cs2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-11(16)9-3-4-12(17-2)10(14)5-9/h3-5,7H,6H2,1-2H3
InChIKeyAWDBHSPKFCUCHS-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.02
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 55120486) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID55120486
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)cs2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-11(16)9-3-4-12(17-2)10(14)5-9/h3-5,7H,6H2,1-2H3
InChIKeyAWDBHSPKFCUCHS-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 658167
[2-(3-Fluoro-4-methoxyphenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7681446
7-Methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one
CID 623447
(4-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258380
5-Methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 76336524
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
(4-Methoxyphenyl)-(1,3-thiazol-2-yl)methanone
CID 10608908
1-[4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 8300008
(4,5-Dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102361642
7-Ethoxy-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)chromen-4-one
CID 2431931
N-[amino-(2-methyl-1,3-thiazol-4-yl)methylidene]-4-(trifluoromethoxy)benzamide
CID 2746372
(3-Fluoro-4-methoxyphenyl)(1-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-3-piperidinyl)methanone
CID 45174746

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 55120486) is 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COc1ccc(C(=O)Cc2nc(C)cs2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is AWDBHSPKFCUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-11(16)9-3-4-12(17-2)10(14)5-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 55120486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).