2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

C6H4ClN3S4 — CID 83156513

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc(Cl)cs2)s1
InChIInChI=1S/C6H4ClN3S4/c1-11-5-9-10-6(14-5)13-4-8-3(7)2-12-4/h2H,1H3
InChIKeySQHCLUWTLKEECU-UHFFFAOYSA-N
MW281.84 g/mol
LogP3.52
Rot. Bonds3

About 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 83156513) has the molecular formula C6H4ClN3S4 and a molecular weight of 281.84 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID83156513
Molecular FormulaC6H4ClN3S4
Molecular Weight281.84 g/mol
Exact Mass280.90
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc(Cl)cs2)s1
InChIInChI=1S/C6H4ClN3S4/c1-11-5-9-10-6(14-5)13-4-8-3(7)2-12-4/h2H,1H3
InChIKeySQHCLUWTLKEECU-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.84
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-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 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (CID 83156513) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(Sc2nc(Cl)cs2)s1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is SQHCLUWTLKEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S4/c1-11-5-9-10-6(14-5)13-4-8-3(7)2-12-4/h2H,1H3.
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 281.84 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 83156513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).