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

C15H14N4OS — CID 51247935

IUPAC(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccs1)c1nnc2ccccn12
InChIInChI=1S/C15H14N4OS/c1-11(15-18-17-13-6-2-3-9-19(13)15)16-14(20)8-7-12-5-4-10-21-12/h2-11H,1H3,(H,16,20)/b8-7+
InChIKeyISPIVXLTKGDWTA-BQYQJAHWSA-N
MW298.37 g/mol
LogP2.68
Rot. Bonds4

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

(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (PubChem CID 51247935) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
PubChem CID51247935
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccs1)c1nnc2ccccn12
InChIInChI=1S/C15H14N4OS/c1-11(15-18-17-13-6-2-3-9-19(13)15)16-14(20)8-7-12-5-4-10-21-12/h2-11H,1H3,(H,16,20)/b8-7+
InChIKeyISPIVXLTKGDWTA-BQYQJAHWSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methylphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247809
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51324682
(E)-3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247623
(E)-3-(2-ethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247923
(E)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 26278243
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 134030701
3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (CID 51247935) is (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1cccs1)c1nnc2ccccn12.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The InChIKey is ISPIVXLTKGDWTA-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11(15-18-17-13-6-2-3-9-19(13)15)16-14(20)8-7-12-5-4-10-21-12/h2-11H,1H3,(H,16,20)/b8-7+.
What are the key properties of (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 51247935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).