3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H14N4S2 — CID 662583

IUPAC3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1csc(-c2nn3c(C4CCCCC4)nnc3s2)c1
InChIInChI=1S/C13H14N4S2/c1-2-5-9(6-3-1)11-14-15-13-17(11)16-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2
InChIKeyCCERXUPWDJUFFC-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.96
Rot. Bonds2

About 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662583) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662583
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1csc(-c2nn3c(C4CCCCC4)nnc3s2)c1
InChIInChI=1S/C13H14N4S2/c1-2-5-9(6-3-1)11-14-15-13-17(11)16-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2
InChIKeyCCERXUPWDJUFFC-UHFFFAOYSA-N
XLogP3.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][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

3-(2,4-Dichlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662849
3-(4-Chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664192
3-Benzyl-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848719
6-Thiophen-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666070
3-Phenyl-6-(4,5,6,7-tetrahydro-1-benzothien-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3242447
6-(1-Phenylpropyl)-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6493903
3-Cyclohexyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662246
3-Phenyl-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662711
3-(2-Chlorophenyl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2215524
3-(benzylsulfanyl)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 663344
3-Methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2145561
3-Methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 137654315

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662583) is 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1csc(-c2nn3c(C4CCCCC4)nnc3s2)c1.
What is the InChIKey of 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CCERXUPWDJUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-5-9(6-3-1)11-14-15-13-17(11)16-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 290.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).