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

C14H8F5N5OS — CID 56848139

IUPAC3,5-difluoro-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)c2c(F)cncc2F)s1
InChIInChI=1S/C14H8F5N5OS/c1-24-8(2-10(23-24)14(17,18)19)9-5-21-13(26-9)22-12(25)11-6(15)3-20-4-7(11)16/h2-5H,1H3,(H,21,22,25)
InChIKeyQBCLESTWBJLXNE-UHFFFAOYSA-N
MW389.31 g/mol
LogP3.49
Rot. Bonds3

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

3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 56848139) has the molecular formula C14H8F5N5OS and a molecular weight of 389.31 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID56848139
Molecular FormulaC14H8F5N5OS
Molecular Weight389.31 g/mol
Exact Mass389.04
IUPAC Name3,5-difluoro-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)c2c(F)cncc2F)s1
InChIInChI=1S/C14H8F5N5OS/c1-24-8(2-10(23-24)14(17,18)19)9-5-21-13(26-9)22-12(25)11-6(15)3-20-4-7(11)16/h2-5H,1H3,(H,21,22,25)
InChIKeyQBCLESTWBJLXNE-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 56848139) is 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-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)c2c(F)cncc2F)s1.
What is the InChIKey of 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is QBCLESTWBJLXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N5OS/c1-24-8(2-10(23-24)14(17,18)19)9-5-21-13(26-9)22-12(25)11-6(15)3-20-4-7(11)16/h2-5H,1H3,(H,21,22,25).
What are the key properties of 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 389.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56848139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).