N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine

C15H20N4S — CID 64543382

IUPACN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H20N4S/c1-11(16-2)12-10-20-15(17-12)19-9-8-18(3)13-6-4-5-7-14(13)19/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyUGHUQGBFEIYHJH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds3

About N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine

N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543382) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543382
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C15H20N4S/c1-11(16-2)12-10-20-15(17-12)19-9-8-18(3)13-6-4-5-7-14(13)19/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyUGHUQGBFEIYHJH-UHFFFAOYSA-N
XLogP3.01
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine (CID 64543382) is N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine is CNC(C)c1csc(N2CCN(C)c3ccccc32)n1.
What is the InChIKey of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is UGHUQGBFEIYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11(16-2)12-10-20-15(17-12)19-9-8-18(3)13-6-4-5-7-14(13)19/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).