N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide

C13H11ClF2N2OS — CID 167907363

IUPACN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide
SMILESCC(F)(C(=O)NCc1csc(Cl)n1)c1ccccc1F
InChIInChI=1S/C13H11ClF2N2OS/c1-13(16,9-4-2-3-5-10(9)15)11(19)17-6-8-7-20-12(14)18-8/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyCAYMHAGTPFYZBS-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide

N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide (PubChem CID 167907363) has the molecular formula C13H11ClF2N2OS and a molecular weight of 316.76 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide
PubChem CID167907363
Molecular FormulaC13H11ClF2N2OS
Molecular Weight316.76 g/mol
Exact Mass316.02
IUPAC NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide
SMILESCC(F)(C(=O)NCc1csc(Cl)n1)c1ccccc1F
InChIInChI=1S/C13H11ClF2N2OS/c1-13(16,9-4-2-3-5-10(9)15)11(19)17-6-8-7-20-12(14)18-8/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyCAYMHAGTPFYZBS-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide?
The IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide (CID 167907363) is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide is CC(F)(C(=O)NCc1csc(Cl)n1)c1ccccc1F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide?
The InChIKey is CAYMHAGTPFYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2OS/c1-13(16,9-4-2-3-5-10(9)15)11(19)17-6-8-7-20-12(14)18-8/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide?
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide has a molecular weight of 316.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-fluoro-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 167907363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).