(5-quinoxalin-6-ylthiophen-2-yl)methanamine

C13H11N3S — CID 54879573

IUPAC(5-quinoxalin-6-ylthiophen-2-yl)methanamine
SMILESNCc1ccc(-c2ccc3nccnc3c2)s1
InChIInChI=1S/C13H11N3S/c14-8-10-2-4-13(17-10)9-1-3-11-12(7-9)16-6-5-15-11/h1-7H,8,14H2
InChIKeyQPMSMSNJMQSWNH-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.82
Rot. Bonds2

About (5-quinoxalin-6-ylthiophen-2-yl)methanamine

(5-quinoxalin-6-ylthiophen-2-yl)methanamine (PubChem CID 54879573) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is (5-quinoxalin-6-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-quinoxalin-6-ylthiophen-2-yl)methanamine
PubChem CID54879573
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name(5-quinoxalin-6-ylthiophen-2-yl)methanamine
SMILESNCc1ccc(-c2ccc3nccnc3c2)s1
InChIInChI=1S/C13H11N3S/c14-8-10-2-4-13(17-10)9-1-3-11-12(7-9)16-6-5-15-11/h1-7H,8,14H2
InChIKeyQPMSMSNJMQSWNH-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-quinoxalin-6-ylthiophen-2-yl)methanamine?
The IUPAC name of (5-quinoxalin-6-ylthiophen-2-yl)methanamine (CID 54879573) is (5-quinoxalin-6-ylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-quinoxalin-6-ylthiophen-2-yl)methanamine?
The canonical SMILES for (5-quinoxalin-6-ylthiophen-2-yl)methanamine is NCc1ccc(-c2ccc3nccnc3c2)s1.
What is the InChIKey of (5-quinoxalin-6-ylthiophen-2-yl)methanamine?
The InChIKey is QPMSMSNJMQSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-8-10-2-4-13(17-10)9-1-3-11-12(7-9)16-6-5-15-11/h1-7H,8,14H2.
What are the key properties of (5-quinoxalin-6-ylthiophen-2-yl)methanamine?
(5-quinoxalin-6-ylthiophen-2-yl)methanamine has a molecular weight of 241.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-quinoxalin-6-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 54879573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).