3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C14H9F4N5OS — CID 56848138

IUPAC3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C14H9F4N5OS/c1-23-9(4-11(22-23)14(16,17)18)10-6-20-13(25-10)21-12(24)7-2-3-19-5-8(7)15/h2-6H,1H3,(H,20,21,24)
InChIKeyNHYVARJTRQPMNU-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.35
Rot. Bonds3

About 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 56848138) has the molecular formula C14H9F4N5OS and a molecular weight of 371.32 g/mol. Its IUPAC name is 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID56848138
Molecular FormulaC14H9F4N5OS
Molecular Weight371.32 g/mol
Exact Mass371.05
IUPAC Name3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C14H9F4N5OS/c1-23-9(4-11(22-23)14(16,17)18)10-6-20-13(25-10)21-12(24)7-2-3-19-5-8(7)15/h2-6H,1H3,(H,20,21,24)
InChIKeyNHYVARJTRQPMNU-UHFFFAOYSA-N
XLogP3.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 56848138) is 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccncc2F)s1.
What is the InChIKey of 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is NHYVARJTRQPMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5OS/c1-23-9(4-11(22-23)14(16,17)18)10-6-20-13(25-10)21-12(24)7-2-3-19-5-8(7)15/h2-6H,1H3,(H,20,21,24).
What are the key properties of 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).