5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole

C13H11N3S2 — CID 167972560

IUPAC5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole
SMILESc1ccc2c(SCCc3cncs3)ncnc2c1
InChIInChI=1S/C13H11N3S2/c1-2-4-12-11(3-1)13(16-8-15-12)17-6-5-10-7-14-9-18-10/h1-4,7-9H,5-6H2
InChIKeyZMIWSEXPIAIHLF-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.42
Rot. Bonds4

About 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole

5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole (PubChem CID 167972560) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole
PubChem CID167972560
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole
SMILESc1ccc2c(SCCc3cncs3)ncnc2c1
InChIInChI=1S/C13H11N3S2/c1-2-4-12-11(3-1)13(16-8-15-12)17-6-5-10-7-14-9-18-10/h1-4,7-9H,5-6H2
InChIKeyZMIWSEXPIAIHLF-UHFFFAOYSA-N
XLogP3.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-quinazolin-4-ylsulfanylethyl)-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 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole?
The IUPAC name of 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole (CID 167972560) is 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole is c1ccc2c(SCCc3cncs3)ncnc2c1.
What is the InChIKey of 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole?
The InChIKey is ZMIWSEXPIAIHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-2-4-12-11(3-1)13(16-8-15-12)17-6-5-10-7-14-9-18-10/h1-4,7-9H,5-6H2.
What are the key properties of 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole?
5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole has a molecular weight of 273.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-quinazolin-4-ylsulfanylethyl)-1,3-thiazole is sourced from PubChem (CID 167972560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).