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

C12H9ClFNOS — CID 103052577

IUPAC2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClFNOS/c1-7-12(17-6-15-7)11(16)5-8-4-9(13)2-3-10(8)14/h2-4,6H,5H2,1H3
InChIKeyRNUMMLDAAFPJTG-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.67
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 103052577) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID103052577
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClFNOS/c1-7-12(17-6-15-7)11(16)5-8-4-9(13)2-3-10(8)14/h2-4,6H,5H2,1H3
InChIKeyRNUMMLDAAFPJTG-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105078465
2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105118265
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
N-(3-chlorophenyl)-N-[(8-fluoroquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618061
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679697
(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105095190

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (CID 103052577) is 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncsc1C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RNUMMLDAAFPJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-7-12(17-6-15-7)11(16)5-8-4-9(13)2-3-10(8)14/h2-4,6H,5H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 269.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 103052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).