2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

C21H15N5O2S — CID 86934553

IUPAC2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C21H15N5O2S/c27-20(17-13-22-21(29-17)16-4-3-11-28-16)23-15-8-6-14(7-9-15)12-19-25-24-18-5-1-2-10-26(18)19/h1-11,13H,12H2,(H,23,27)
InChIKeyGOLHOVFUWWBQQU-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.29
Rot. Bonds5

About 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 86934553) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID86934553
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC Name2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C21H15N5O2S/c27-20(17-13-22-21(29-17)16-4-3-11-28-16)23-15-8-6-14(7-9-15)12-19-25-24-18-5-1-2-10-26(18)19/h1-11,13H,12H2,(H,23,27)
InChIKeyGOLHOVFUWWBQQU-UHFFFAOYSA-N
XLogP4.29
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 86934553) is 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GOLHOVFUWWBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c27-20(17-13-22-21(29-17)16-4-3-11-28-16)23-15-8-6-14(7-9-15)12-19-25-24-18-5-1-2-10-26(18)19/h1-11,13H,12H2,(H,23,27).
What are the key properties of 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86934553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).