N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide

C18H11N5O2S — CID 25099116

IUPACN-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1cccs1
InChIInChI=1S/C18H11N5O2S/c24-18(14-8-4-10-26-14)21-16-17-20-15(13-7-3-9-25-13)22-23(17)12-6-2-1-5-11(12)19-16/h1-10H,(H,19,21,24)
InChIKeyKKEVFJDNPFXUQH-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.85
Rot. Bonds3

About N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide

N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide (PubChem CID 25099116) has the molecular formula C18H11N5O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide
PubChem CID25099116
Molecular FormulaC18H11N5O2S
Molecular Weight361.39 g/mol
Exact Mass361.06
IUPAC NameN-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1cccs1
InChIInChI=1S/C18H11N5O2S/c24-18(14-8-4-10-26-14)21-16-17-20-15(13-7-3-9-25-13)22-23(17)12-6-2-1-5-11(12)19-16/h1-10H,(H,19,21,24)
InChIKeyKKEVFJDNPFXUQH-UHFFFAOYSA-N
XLogP3.85
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide (CID 25099116) is N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide is O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1cccs1.
What is the InChIKey of N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide?
The InChIKey is KKEVFJDNPFXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2S/c24-18(14-8-4-10-26-14)21-16-17-20-15(13-7-3-9-25-13)22-23(17)12-6-2-1-5-11(12)19-16/h1-10H,(H,19,21,24).
What are the key properties of N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide?
N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25099116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).