2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole

C12H20N2S — CID 70849933

IUPAC2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C12H20N2S/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3
InChIKeyQHMZMSDZWFYGEX-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.78
Rot. Bonds3

About 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole

2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 70849933) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
PubChem CID70849933
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
SMILESCCc1nnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C12H20N2S/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3
InChIKeyQHMZMSDZWFYGEX-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(4-ethylcyclohexyl)-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

Related Compounds

2-Octan-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 142253642
2-(Difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 153456388
2,5-Bis(4-butylcyclohexyl)-1,3,4-thiadiazole
CID 15597084
2-(4-Butylcyclohexyl)-5-(4-heptylcyclohexyl)-1,3,4-thiadiazole
CID 15597085
2,5-Bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091
2,5-Bis(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 18714561
2-[trans-4-(trans-4-n-Propylcyclohexyl)cyclohexyl]-5-propyl-1,3,4-thiadiazole
CID 19879945
2-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461
2-(4-Ethylcyclohexyl)-1,3,4-thiadiazole
CID 68309407
2-Tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
CID 70849963
2-Cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
CID 71131073

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole (CID 70849933) is 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole is CCc1nnc(C2CCC(CC)CC2)s1.
What is the InChIKey of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is QHMZMSDZWFYGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole?
2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 224.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 70849933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).