4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole

C15H18ClN3S — CID 63777501

IUPAC4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
SMILESCN1CCN(CCc2nc(CCl)cs2)c2ccccc21
InChIInChI=1S/C15H18ClN3S/c1-18-8-9-19(14-5-3-2-4-13(14)18)7-6-15-17-12(10-16)11-20-15/h2-5,11H,6-10H2,1H3
InChIKeyDAUANTZIEXAYLS-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.38
Rot. Bonds4

About 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole (PubChem CID 63777501) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
PubChem CID63777501
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole
SMILESCN1CCN(CCc2nc(CCl)cs2)c2ccccc21
InChIInChI=1S/C15H18ClN3S/c1-18-8-9-19(14-5-3-2-4-13(14)18)7-6-15-17-12(10-16)11-20-15/h2-5,11H,6-10H2,1H3
InChIKeyDAUANTZIEXAYLS-UHFFFAOYSA-N
XLogP3.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole 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 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole (CID 63777501) is 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole is CN1CCN(CCc2nc(CCl)cs2)c2ccccc21.
What is the InChIKey of 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is DAUANTZIEXAYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-18-8-9-19(14-5-3-2-4-13(14)18)7-6-15-17-12(10-16)11-20-15/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 307.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 63777501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).