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

C17H14N4OS — CID 17449846

IUPACN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc2ccccc2s1
InChIInChI=1S/C17H14N4OS/c22-17(14-11-12-5-1-2-6-13(12)23-14)18-9-8-16-20-19-15-7-3-4-10-21(15)16/h1-7,10-11H,8-9H2,(H,18,22)
InChIKeyBKHJOFICHPYSCJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.92
Rot. Bonds4

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

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 17449846) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID17449846
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cc2ccccc2s1
InChIInChI=1S/C17H14N4OS/c22-17(14-11-12-5-1-2-6-13(12)23-14)18-9-8-16-20-19-15-7-3-4-10-21(15)16/h1-7,10-11H,8-9H2,(H,18,22)
InChIKeyBKHJOFICHPYSCJ-UHFFFAOYSA-N
XLogP2.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24595881
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
CID 103803871
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 17449846) is N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCc1nnc2ccccn12)c1cc2ccccc2s1.
What is the InChIKey of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BKHJOFICHPYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-17(14-11-12-5-1-2-6-13(12)23-14)18-9-8-16-20-19-15-7-3-4-10-21(15)16/h1-7,10-11H,8-9H2,(H,18,22).
What are the key properties of N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17449846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).