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

C23H16F5N3OS — CID 143518063

IUPACN-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C2=C(c3cccc(C(F)(F)F)c3)S(F)(F)C(NC(=O)c3ccccc3)=N2)n1
InChIInChI=1S/C23H16F5N3OS/c1-14-7-5-12-18(29-14)19-20(16-10-6-11-17(13-16)23(24,25)26)33(27,28)22(30-19)31-21(32)15-8-3-2-4-9-15/h2-13H,1H3,(H,30,31,32)
InChIKeyFQPRNYWVOIBXSH-UHFFFAOYSA-N
MW477.46 g/mol
LogP6.61
Rot. Bonds3

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

N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 143518063) has the molecular formula C23H16F5N3OS and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID143518063
Molecular FormulaC23H16F5N3OS
Molecular Weight477.46 g/mol
Exact Mass477.09
IUPAC NameN-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C2=C(c3cccc(C(F)(F)F)c3)S(F)(F)C(NC(=O)c3ccccc3)=N2)n1
InChIInChI=1S/C23H16F5N3OS/c1-14-7-5-12-18(29-14)19-20(16-10-6-11-17(13-16)23(24,25)26)33(27,28)22(30-19)31-21(32)15-8-3-2-4-9-15/h2-13H,1H3,(H,30,31,32)
InChIKeyFQPRNYWVOIBXSH-UHFFFAOYSA-N
XLogP6.61
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline
CID 90246837
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
CID 123858527
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-[(Z)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135500733
3-[3-(trifluoromethyl)phenyl]quinoline-2-carboxylic acid
CID 154248063

Frequently Asked Questions

What is the IUPAC name of N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 143518063) is N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is Cc1cccc(C2=C(c3cccc(C(F)(F)F)c3)S(F)(F)C(NC(=O)c3ccccc3)=N2)n1.
What is the InChIKey of N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is FQPRNYWVOIBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3OS/c1-14-7-5-12-18(29-14)19-20(16-10-6-11-17(13-16)23(24,25)26)33(27,28)22(30-19)31-21(32)15-8-3-2-4-9-15/h2-13H,1H3,(H,30,31,32).
What are the key properties of N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 477.46 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 143518063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).