2-chloro-4-thiophen-2-ylsulfanylquinazoline

C12H7ClN2S2 — CID 55080729

IUPAC2-chloro-4-thiophen-2-ylsulfanylquinazoline
SMILESClc1nc(Sc2cccs2)c2ccccc2n1
InChIInChI=1S/C12H7ClN2S2/c13-12-14-9-5-2-1-4-8(9)11(15-12)17-10-6-3-7-16-10/h1-7H
InChIKeyMKKDZTOUWUJBNH-UHFFFAOYSA-N
MW278.79 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-4-thiophen-2-ylsulfanylquinazoline

2-chloro-4-thiophen-2-ylsulfanylquinazoline (PubChem CID 55080729) has the molecular formula C12H7ClN2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-chloro-4-thiophen-2-ylsulfanylquinazoline.

Molecular Properties

Compound Name2-chloro-4-thiophen-2-ylsulfanylquinazoline
PubChem CID55080729
Molecular FormulaC12H7ClN2S2
Molecular Weight278.79 g/mol
Exact Mass277.97
IUPAC Name2-chloro-4-thiophen-2-ylsulfanylquinazoline
SMILESClc1nc(Sc2cccs2)c2ccccc2n1
InChIInChI=1S/C12H7ClN2S2/c13-12-14-9-5-2-1-4-8(9)11(15-12)17-10-6-3-7-16-10/h1-7H
InChIKeyMKKDZTOUWUJBNH-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-thiophen-2-ylsulfanylquinazoline 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 2-chloro-4-thiophen-2-ylsulfanylquinazoline?
The IUPAC name of 2-chloro-4-thiophen-2-ylsulfanylquinazoline (CID 55080729) is 2-chloro-4-thiophen-2-ylsulfanylquinazoline.
What is the SMILES notation for 2-chloro-4-thiophen-2-ylsulfanylquinazoline?
The canonical SMILES for 2-chloro-4-thiophen-2-ylsulfanylquinazoline is Clc1nc(Sc2cccs2)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-thiophen-2-ylsulfanylquinazoline?
The InChIKey is MKKDZTOUWUJBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S2/c13-12-14-9-5-2-1-4-8(9)11(15-12)17-10-6-3-7-16-10/h1-7H.
What are the key properties of 2-chloro-4-thiophen-2-ylsulfanylquinazoline?
2-chloro-4-thiophen-2-ylsulfanylquinazoline has a molecular weight of 278.79 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-thiophen-2-ylsulfanylquinazoline is sourced from PubChem (CID 55080729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).