3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C15H16N4OS — CID 31618858

IUPAC3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCc1ccsc1)NCCc1nnc2ccccn12
InChIInChI=1S/C15H16N4OS/c20-15(5-4-12-7-10-21-11-12)16-8-6-14-18-17-13-3-1-2-9-19(13)14/h1-3,7,9-11H,4-6,8H2,(H,16,20)
InChIKeyBUSOTKCVLFJHES-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.08
Rot. Bonds6

About 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 31618858) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID31618858
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCc1ccsc1)NCCc1nnc2ccccn12
InChIInChI=1S/C15H16N4OS/c20-15(5-4-12-7-10-21-11-12)16-8-6-14-18-17-13-3-1-2-9-19(13)14/h1-3,7,9-11H,4-6,8H2,(H,16,20)
InChIKeyBUSOTKCVLFJHES-UHFFFAOYSA-N
XLogP2.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
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3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
3-cyclohexyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618840
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947447
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947367
3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 37212653
4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266
2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 31618858) is 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is O=C(CCc1ccsc1)NCCc1nnc2ccccn12.
What is the InChIKey of 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is BUSOTKCVLFJHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-15(5-4-12-7-10-21-11-12)16-8-6-14-18-17-13-3-1-2-9-19(13)14/h1-3,7,9-11H,4-6,8H2,(H,16,20).
What are the key properties of 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 300.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 31618858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).