N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine

C14H13N3S — CID 43769302

IUPACN-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H13N3S/c1-2-6-14-13(5-1)16-9-11(17-14)8-15-10-12-4-3-7-18-12/h1-7,9,15H,8,10H2
InChIKeyOILXBYBXSKWPEE-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.98
Rot. Bonds4

About N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine

N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 43769302) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID43769302
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H13N3S/c1-2-6-14-13(5-1)16-9-11(17-14)8-15-10-12-4-3-7-18-12/h1-7,9,15H,8,10H2
InChIKeyOILXBYBXSKWPEE-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine (CID 43769302) is N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc(CNCc2cnc3ccccc3n2)c1.
What is the InChIKey of N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is OILXBYBXSKWPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-6-14-13(5-1)16-9-11(17-14)8-15-10-12-4-3-7-18-12/h1-7,9,15H,8,10H2.
What are the key properties of N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine?
N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 255.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43769302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).