1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone

C15H17N3OS — CID 63776455

IUPAC1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)c3ccccc32)nc1C
InChIInChI=1S/C15H17N3OS/c1-10-14(11(2)19)20-15(16-10)18-9-8-17(3)12-6-4-5-7-13(12)18/h4-7H,8-9H2,1-3H3
InChIKeyAYAOQQNQSOTQDU-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.24
Rot. Bonds2

About 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 63776455) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID63776455
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)c3ccccc32)nc1C
InChIInChI=1S/C15H17N3OS/c1-10-14(11(2)19)20-15(16-10)18-9-8-17(3)12-6-4-5-7-13(12)18/h4-7H,8-9H2,1-3H3
InChIKeyAYAOQQNQSOTQDU-UHFFFAOYSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone 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 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone (CID 63776455) is 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CCN(C)c3ccccc32)nc1C.
What is the InChIKey of 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is AYAOQQNQSOTQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-14(11(2)19)20-15(16-10)18-9-8-17(3)12-6-4-5-7-13(12)18/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 287.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).