4-[difluoro(phenyl)methyl]-1,3-thiazole

C10H7F2NS — CID 173034987

IUPAC4-[difluoro(phenyl)methyl]-1,3-thiazole
SMILESFC(F)(c1ccccc1)c1cscn1
InChIInChI=1S/C10H7F2NS/c11-10(12,9-6-14-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeySANOCOCELXUWTI-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.28
Rot. Bonds2

About 4-[difluoro(phenyl)methyl]-1,3-thiazole

4-[difluoro(phenyl)methyl]-1,3-thiazole (PubChem CID 173034987) has the molecular formula C10H7F2NS and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]-1,3-thiazole
PubChem CID173034987
Molecular FormulaC10H7F2NS
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name4-[difluoro(phenyl)methyl]-1,3-thiazole
SMILESFC(F)(c1ccccc1)c1cscn1
InChIInChI=1S/C10H7F2NS/c11-10(12,9-6-14-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeySANOCOCELXUWTI-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[difluoro(phenyl)methyl]-1,3-thiazole (CID 173034987) is 4-[difluoro(phenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[difluoro(phenyl)methyl]-1,3-thiazole is FC(F)(c1ccccc1)c1cscn1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]-1,3-thiazole?
The InChIKey is SANOCOCELXUWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS/c11-10(12,9-6-14-7-13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-[difluoro(phenyl)methyl]-1,3-thiazole?
4-[difluoro(phenyl)methyl]-1,3-thiazole has a molecular weight of 211.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 173034987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).