4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide

C12H12N6OS — CID 39966669

IUPAC4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C12H12N6OS/c1-2-8-11(20-17-14-8)12(19)13-7-10-16-15-9-5-3-4-6-18(9)10/h3-6H,2,7H2,1H3,(H,13,19)
InChIKeyKRGNIJKEOWNCRD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.07
Rot. Bonds4

About 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide

4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 39966669) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID39966669
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C12H12N6OS/c1-2-8-11(20-17-14-8)12(19)13-7-10-16-15-9-5-3-4-6-18(9)10/h3-6H,2,7H2,1H3,(H,13,19)
InChIKeyKRGNIJKEOWNCRD-UHFFFAOYSA-N
XLogP1.07
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazole-4-carboxamide
CID 8834493
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 33067113
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide (CID 39966669) is 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is KRGNIJKEOWNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-2-8-11(20-17-14-8)12(19)13-7-10-16-15-9-5-3-4-6-18(9)10/h3-6H,2,7H2,1H3,(H,13,19).
What are the key properties of 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 288.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 39966669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).