2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

C17H12F2N2OS — CID 778001

IUPAC2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1
InChIInChI=1S/C17H12F2N2OS/c1-10-15(11-6-3-2-4-7-11)20-17(23-10)21-16(22)14-12(18)8-5-9-13(14)19/h2-9H,1H3,(H,20,21,22)
InChIKeyARERRRAWYXBDEE-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.65
Rot. Bonds3

About 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide

2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 778001) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID778001
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1
InChIInChI=1S/C17H12F2N2OS/c1-10-15(11-6-3-2-4-7-11)20-17(23-10)21-16(22)14-12(18)8-5-9-13(14)19/h2-9H,1H3,(H,20,21,22)
InChIKeyARERRRAWYXBDEE-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide (CID 778001) is 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ARERRRAWYXBDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-10-15(11-6-3-2-4-7-11)20-17(23-10)21-16(22)14-12(18)8-5-9-13(14)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 330.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 778001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).