2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C24H19N5OS — CID 24595881

IUPAC2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N5OS/c30-23(25-15-14-20-28-27-19-13-7-8-16-29(19)20)22-21(17-9-3-1-4-10-17)26-24(31-22)18-11-5-2-6-12-18/h1-13,16H,14-15H2,(H,25,30)
InChIKeyGZBXNLVNSJQELD-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.49
Rot. Bonds6

About 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 24595881) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID24595881
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N5OS/c30-23(25-15-14-20-28-27-19-13-7-8-16-29(19)20)22-21(17-9-3-1-4-10-17)26-24(31-22)18-11-5-2-6-12-18/h1-13,16H,14-15H2,(H,25,30)
InChIKeyGZBXNLVNSJQELD-UHFFFAOYSA-N
XLogP4.49
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 18128574
2,4-diphenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 134030786
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17449846
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618858
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 24595881) is 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCc1nnc2ccccn12)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GZBXNLVNSJQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c30-23(25-15-14-20-28-27-19-13-7-8-16-29(19)20)22-21(17-9-3-1-4-10-17)26-24(31-22)18-11-5-2-6-12-18/h1-13,16H,14-15H2,(H,25,30).
What are the key properties of 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24595881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).