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

C12H10FNOS — CID 60977242

IUPAC1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNOS/c1-8-7-16-12(14-8)6-11(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyCSWCZOYPTVYCMB-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.02
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 60977242) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID60977242
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H10FNOS/c1-8-7-16-12(14-8)6-11(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyCSWCZOYPTVYCMB-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 60977242) is 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is CSWCZOYPTVYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-8-7-16-12(14-8)6-11(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 60977242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).