2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C15H16F5N3OS — CID 15107737

IUPAC2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)Cc1c(C(N)=O)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1
InChIInChI=1S/C15H16F5N3OS/c1-6(2)5-7-8(13(21)24)10(12(16)17)23-11(15(18,19)20)9(7)14-22-3-4-25-14/h6,12H,3-5H2,1-2H3,(H2,21,24)
InChIKeyVAFODVFJLAHHQW-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.83
Rot. Bonds5

About 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15107737) has the molecular formula C15H16F5N3OS and a molecular weight of 381.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15107737
Molecular FormulaC15H16F5N3OS
Molecular Weight381.37 g/mol
Exact Mass381.09
IUPAC Name2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)Cc1c(C(N)=O)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1
InChIInChI=1S/C15H16F5N3OS/c1-6(2)5-7-8(13(21)24)10(12(16)17)23-11(15(18,19)20)9(7)14-22-3-4-25-14/h6,12H,3-5H2,1-2H3,(H2,21,24)
InChIKeyVAFODVFJLAHHQW-UHFFFAOYSA-N
XLogP3.83
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 15107737) is 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)Cc1c(C(N)=O)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1.
What is the InChIKey of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VAFODVFJLAHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F5N3OS/c1-6(2)5-7-8(13(21)24)10(12(16)17)23-11(15(18,19)20)9(7)14-22-3-4-25-14/h6,12H,3-5H2,1-2H3,(H2,21,24).
What are the key properties of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).