2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone

C12H10FNOS — CID 105078465

IUPAC2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FNOS/c1-8-12(16-7-14-8)11(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXSAHXKCHJVILDI-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone

2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 105078465) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID105078465
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FNOS/c1-8-12(16-7-14-8)11(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXSAHXKCHJVILDI-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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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105118265
2-(2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105079227
2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105135828
2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 103052577
2-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105095190
4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-4-en-1-one
CID 105129903
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (CID 105078465) is 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncsc1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XSAHXKCHJVILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-8-12(16-7-14-8)11(15)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-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 2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105078465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).