2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C20H16F4N4OS — CID 143858623

IUPAC2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCCC(F)(F)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H16F4N4OS/c21-12-3-1-4-13(22)17(12)19-27-15(10-30-19)18(29)26-14-9-25-7-5-16(14)28-8-2-6-20(23,24)11-28/h1,3-5,7,9-10H,2,6,8,11H2,(H,26,29)
InChIKeyTXVAJJDBWJCHIX-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.97
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 143858623) has the molecular formula C20H16F4N4OS and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID143858623
Molecular FormulaC20H16F4N4OS
Molecular Weight436.43 g/mol
Exact Mass436.10
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCCC(F)(F)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H16F4N4OS/c21-12-3-1-4-13(22)17(12)19-27-15(10-30-19)18(29)26-14-9-25-7-5-16(14)28-8-2-6-20(23,24)11-28/h1,3-5,7,9-10H,2,6,8,11H2,(H,26,29)
InChIKeyTXVAJJDBWJCHIX-UHFFFAOYSA-N
XLogP4.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 143858623) is 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCCC(F)(F)C1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TXVAJJDBWJCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4OS/c21-12-3-1-4-13(22)17(12)19-27-15(10-30-19)18(29)26-14-9-25-7-5-16(14)28-8-2-6-20(23,24)11-28/h1,3-5,7,9-10H,2,6,8,11H2,(H,26,29).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143858623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).