2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H18F2N4O2S — CID 71262764

IUPAC2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)
InChIKeyFTEJBTVRJIRRSV-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.87
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71262764) has the molecular formula C20H18F2N4O2S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71262764
Molecular FormulaC20H18F2N4O2S
Molecular Weight416.45 g/mol
Exact Mass416.11
IUPAC Name2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)
InChIKeyFTEJBTVRJIRRSV-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71262764) is 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OC1CCNCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FTEJBTVRJIRRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).