1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

C13H11ClFNOS — CID 62796856

IUPAC1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11ClFNOS/c1-8-7-18-13(16-8)6-11(17)4-9-2-3-10(15)5-12(9)14/h2-3,5,7H,4,6H2,1H3
InChIKeyTXSIXMDWMAFBBG-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62796856) has the molecular formula C13H11ClFNOS and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62796856
Molecular FormulaC13H11ClFNOS
Molecular Weight283.76 g/mol
Exact Mass283.02
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11ClFNOS/c1-8-7-18-13(16-8)6-11(17)4-9-2-3-10(15)5-12(9)14/h2-3,5,7H,4,6H2,1H3
InChIKeyTXSIXMDWMAFBBG-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63738285
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
1-(2-chloro-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 102618830

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62796856) is 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is TXSIXMDWMAFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c1-8-7-18-13(16-8)6-11(17)4-9-2-3-10(15)5-12(9)14/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 283.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).