3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine

C14H14N4S — CID 102984697

IUPAC3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
SMILESCc1ccsc1CNc1nc2ccccc2nc1N
InChIInChI=1S/C14H14N4S/c1-9-6-7-19-12(9)8-16-14-13(15)17-10-4-2-3-5-11(10)18-14/h2-7H,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyMZUANDNKQXVHIW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.19
Rot. Bonds3

About 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine

3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine (PubChem CID 102984697) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
PubChem CID102984697
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
SMILESCc1ccsc1CNc1nc2ccccc2nc1N
InChIInChI=1S/C14H14N4S/c1-9-6-7-19-12(9)8-16-14-13(15)17-10-4-2-3-5-11(10)18-14/h2-7H,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyMZUANDNKQXVHIW-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]quinazoline-2,4-diamine
CID 80839993
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
3-N-[(4-bromothiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984548
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
CID 102987406
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854414
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine (CID 102984697) is 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine is Cc1ccsc1CNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine?
The InChIKey is MZUANDNKQXVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-6-7-19-12(9)8-16-14-13(15)17-10-4-2-3-5-11(10)18-14/h2-7H,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine?
3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine has a molecular weight of 270.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).