1-quinoxalin-2-yl-2-thiophen-3-ylethanamine

C14H13N3S — CID 107357052

IUPAC1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1cnc2ccccc2n1
InChIInChI=1S/C14H13N3S/c15-11(7-10-5-6-18-9-10)14-8-16-12-3-1-2-4-13(12)17-14/h1-6,8-9,11H,7,15H2
InChIKeyWGXCZDARMHHKPF-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.93
Rot. Bonds3

About 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine

1-quinoxalin-2-yl-2-thiophen-3-ylethanamine (PubChem CID 107357052) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
PubChem CID107357052
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
SMILESNC(Cc1ccsc1)c1cnc2ccccc2n1
InChIInChI=1S/C14H13N3S/c15-11(7-10-5-6-18-9-10)14-8-16-12-3-1-2-4-13(12)17-14/h1-6,8-9,11H,7,15H2
InChIKeyWGXCZDARMHHKPF-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-quinoxalin-2-yl-2-thiophen-3-ylethyl)hydrazine
CID 107357846
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
CID 107356915
1-(6-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 63553811
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357326
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanamine
CID 81144141
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362542
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
CID 103373901

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine (CID 107357052) is 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine is NC(Cc1ccsc1)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine?
The InChIKey is WGXCZDARMHHKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-11(7-10-5-6-18-9-10)14-8-16-12-3-1-2-4-13(12)17-14/h1-6,8-9,11H,7,15H2.
What are the key properties of 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine?
1-quinoxalin-2-yl-2-thiophen-3-ylethanamine has a molecular weight of 255.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-yl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 107357052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).