2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C12H8F3N5O2S — CID 78864037

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H8F3N5O2S/c13-12(14,15)7-6-23-10(16-7)17-9(21)5-20-11(22)19-4-2-1-3-8(19)18-20/h1-4,6H,5H2,(H,16,17,21)
InChIKeyZCEUKKQXBGEOKJ-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.61
Rot. Bonds3

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78864037) has the molecular formula C12H8F3N5O2S and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78864037
Molecular FormulaC12H8F3N5O2S
Molecular Weight343.29 g/mol
Exact Mass343.04
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H8F3N5O2S/c13-12(14,15)7-6-23-10(16-7)17-9(21)5-20-11(22)19-4-2-1-3-8(19)18-20/h1-4,6H,5H2,(H,16,17,21)
InChIKeyZCEUKKQXBGEOKJ-UHFFFAOYSA-N
XLogP1.61
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78864037) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(Cn1nc2ccccn2c1=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZCEUKKQXBGEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O2S/c13-12(14,15)7-6-23-10(16-7)17-9(21)5-20-11(22)19-4-2-1-3-8(19)18-20/h1-4,6H,5H2,(H,16,17,21).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78864037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).