5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole

C11H17ClN2S — CID 65400393

IUPAC5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
SMILESCCCC1CCC(c2nsc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN2S/c1-2-3-8-4-6-9(7-5-8)10-13-11(12)15-14-10/h8-9H,2-7H2,1H3
InChIKeyISWAZTFDGYXNPT-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.27
Rot. Bonds3

About 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole

5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 65400393) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
PubChem CID65400393
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
SMILESCCCC1CCC(c2nsc(Cl)n2)CC1
InChIInChI=1S/C11H17ClN2S/c1-2-3-8-4-6-9(7-5-8)10-13-11(12)15-14-10/h8-9H,2-7H2,1H3
InChIKeyISWAZTFDGYXNPT-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole
CID 65412658
4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
CID 65425407
4-(5-chloro-1,2,4-thiadiazol-3-yl)cyclohexan-1-one
CID 59541834
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
4-(4-propylcyclohexyl)-1,3,5-triazin-2-amine
CID 65400793
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 65403012
6-ethyl-5-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402391
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole (CID 65400393) is 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole is CCCC1CCC(c2nsc(Cl)n2)CC1.
What is the InChIKey of 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is ISWAZTFDGYXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-2-3-8-4-6-9(7-5-8)10-13-11(12)15-14-10/h8-9H,2-7H2,1H3.
What are the key properties of 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole?
5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 244.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65400393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).