2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C17H11F2N5O2S — CID 44540122

IUPAC2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccn2nc(-c3ccccc3OC(F)F)nc12
InChIInChI=1S/C17H11F2N5O2S/c18-16(19)26-12-6-2-1-4-10(12)13-21-14-11(5-3-8-24(14)23-13)15(25)22-17-20-7-9-27-17/h1-9,16H,(H,20,22,25)
InChIKeyIVSHXIWBRAUHLG-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 44540122) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID44540122
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccn2nc(-c3ccccc3OC(F)F)nc12
InChIInChI=1S/C17H11F2N5O2S/c18-16(19)26-12-6-2-1-4-10(12)13-21-14-11(5-3-8-24(14)23-13)15(25)22-17-20-7-9-27-17/h1-9,16H,(H,20,22,25)
InChIKeyIVSHXIWBRAUHLG-UHFFFAOYSA-N
XLogP3.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 44540122) is 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is O=C(Nc1nccs1)c1cccn2nc(-c3ccccc3OC(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is IVSHXIWBRAUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c18-16(19)26-12-6-2-1-4-10(12)13-21-14-11(5-3-8-24(14)23-13)15(25)22-17-20-7-9-27-17/h1-9,16H,(H,20,22,25).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 44540122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).