3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole

C11H11ClN2S2 — CID 43808353

IUPAC3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole
SMILESCC(C)c1ccc(Sc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2S2/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyGAWZMYDTBICTDS-UHFFFAOYSA-N
MW270.81 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole

3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole (PubChem CID 43808353) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole
PubChem CID43808353
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole
SMILESCC(C)c1ccc(Sc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2S2/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyGAWZMYDTBICTDS-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-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 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole (CID 43808353) is 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole is CC(C)c1ccc(Sc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole?
The InChIKey is GAWZMYDTBICTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3.
What are the key properties of 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole?
3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole has a molecular weight of 270.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-propan-2-ylphenyl)sulfanyl-1,2,5-thiadiazole is sourced from PubChem (CID 43808353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).