3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine

C15H15N3S — CID 34013980

IUPAC3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
SMILESCc1ccsc1CNc1nc2ccccc2nc1C
InChIInChI=1S/C15H15N3S/c1-10-7-8-19-14(10)9-16-15-11(2)17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyTWEGAPQUKBEFMY-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.92
Rot. Bonds3

About 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine

3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine (PubChem CID 34013980) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
PubChem CID34013980
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
SMILESCc1ccsc1CNc1nc2ccccc2nc1C
InChIInChI=1S/C15H15N3S/c1-10-7-8-19-14(10)9-16-15-11(2)17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyTWEGAPQUKBEFMY-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984697
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]quinazoline-2,4-diamine
CID 80839993
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992880
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine (CID 34013980) is 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine is Cc1ccsc1CNc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine?
The InChIKey is TWEGAPQUKBEFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-7-8-19-14(10)9-16-15-11(2)17-12-5-3-4-6-13(12)18-15/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine?
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 34013980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).