2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

C12H10N6O3S — CID 78852046

IUPAC2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)Cn2nc3ccccn3c2=O)s1
InChIInChI=1S/C12H10N6O3S/c13-10(20)7-5-14-11(22-7)15-9(19)6-18-12(21)17-4-2-1-3-8(17)16-18/h1-5H,6H2,(H2,13,20)(H,14,15,19)
InChIKeyAALFTWGNLQDKMP-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.31
Rot. Bonds4

About 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78852046) has the molecular formula C12H10N6O3S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78852046
Molecular FormulaC12H10N6O3S
Molecular Weight318.32 g/mol
Exact Mass318.05
IUPAC Name2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)Cn2nc3ccccn3c2=O)s1
InChIInChI=1S/C12H10N6O3S/c13-10(20)7-5-14-11(22-7)15-9(19)6-18-12(21)17-4-2-1-3-8(17)16-18/h1-5H,6H2,(H2,13,20)(H,14,15,19)
InChIKeyAALFTWGNLQDKMP-UHFFFAOYSA-N
XLogP-0.31
TPSA124.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 78852046) is 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)Cn2nc3ccccn3c2=O)s1.
What is the InChIKey of 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is AALFTWGNLQDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3S/c13-10(20)7-5-14-11(22-7)15-9(19)6-18-12(21)17-4-2-1-3-8(17)16-18/h1-5H,6H2,(H2,13,20)(H,14,15,19).
What are the key properties of 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 318.32 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78852046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).