5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole

C11H7ClN4S2 — CID 29376689

IUPAC5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSc1ncnc2ccccc12
InChIInChI=1S/C11H7ClN4S2/c12-10-9(15-16-18-10)5-17-11-7-3-1-2-4-8(7)13-6-14-11/h1-4,6H,5H2
InChIKeyVTWXOJMSZCNNEB-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.43
Rot. Bonds3

About 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole

5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole (PubChem CID 29376689) has the molecular formula C11H7ClN4S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
PubChem CID29376689
Molecular FormulaC11H7ClN4S2
Molecular Weight294.79 g/mol
Exact Mass293.98
IUPAC Name5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSc1ncnc2ccccc12
InChIInChI=1S/C11H7ClN4S2/c12-10-9(15-16-18-10)5-17-11-7-3-1-2-4-8(7)13-6-14-11/h1-4,6H,5H2
InChIKeyVTWXOJMSZCNNEB-UHFFFAOYSA-N
XLogP3.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole 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-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole (CID 29376689) is 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole is Clc1snnc1CSc1ncnc2ccccc12.
What is the InChIKey of 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole?
The InChIKey is VTWXOJMSZCNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S2/c12-10-9(15-16-18-10)5-17-11-7-3-1-2-4-8(7)13-6-14-11/h1-4,6H,5H2.
What are the key properties of 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole?
5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole has a molecular weight of 294.79 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 29376689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).