2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole

C11H8ClF2NS — CID 167769634

IUPAC2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClF2NS/c12-8-3-1-7(2-4-8)5-10-15-9(6-16-10)11(13)14/h1-4,6,11H,5H2
InChIKeyNWYPETIORNCGFD-UHFFFAOYSA-N
MW259.71 g/mol
LogP4.32
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole

2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole (PubChem CID 167769634) has the molecular formula C11H8ClF2NS and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
PubChem CID167769634
Molecular FormulaC11H8ClF2NS
Molecular Weight259.71 g/mol
Exact Mass259.00
IUPAC Name2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClF2NS/c12-8-3-1-7(2-4-8)5-10-15-9(6-16-10)11(13)14/h1-4,6,11H,5H2
InChIKeyNWYPETIORNCGFD-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole (CID 167769634) is 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole is FC(F)c1csc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole?
The InChIKey is NWYPETIORNCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NS/c12-8-3-1-7(2-4-8)5-10-15-9(6-16-10)11(13)14/h1-4,6,11H,5H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole?
2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole has a molecular weight of 259.71 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167769634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).