N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine

C17H14N4S — CID 33373467

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
SMILESCN(Cc1nc2ccccc2s1)c1cnc2ccccc2n1
InChIInChI=1S/C17H14N4S/c1-21(11-17-20-14-8-4-5-9-15(14)22-17)16-10-18-12-6-2-3-7-13(12)19-16/h2-10H,11H2,1H3
InChIKeyJMTCMDYNEDTTAY-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.88
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine

N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine (PubChem CID 33373467) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
PubChem CID33373467
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
SMILESCN(Cc1nc2ccccc2s1)c1cnc2ccccc2n1
InChIInChI=1S/C17H14N4S/c1-21(11-17-20-14-8-4-5-9-15(14)22-17)16-10-18-12-6-2-3-7-13(12)19-16/h2-10H,11H2,1H3
InChIKeyJMTCMDYNEDTTAY-UHFFFAOYSA-N
XLogP3.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethylpyridine-3-sulfonamide
CID 8568025
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
N-(1,3-benzothiazol-2-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 8567987
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinolin-1-ium-2-amine
CID 8567991
N-(2-bromopropyl)-N-methylquinoxalin-2-amine
CID 80671714
N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
CID 62358942
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine (CID 33373467) is N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine is CN(Cc1nc2ccccc2s1)c1cnc2ccccc2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine?
The InChIKey is JMTCMDYNEDTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-21(11-17-20-14-8-4-5-9-15(14)22-17)16-10-18-12-6-2-3-7-13(12)19-16/h2-10H,11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 33373467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).