3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C18H22N4O2S — CID 71304854

IUPAC3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCOc1ccccc1OCc1nn2c(C3CCCCC3)nnc2s1
InChIInChI=1S/C18H22N4O2S/c1-2-23-14-10-6-7-11-15(14)24-12-16-21-22-17(19-20-18(22)25-16)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyMPVFBUCSWNYXBN-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.21
Rot. Bonds6

About 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71304854) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71304854
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCOc1ccccc1OCc1nn2c(C3CCCCC3)nnc2s1
InChIInChI=1S/C18H22N4O2S/c1-2-23-14-10-6-7-11-15(14)24-12-16-21-22-17(19-20-18(22)25-16)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyMPVFBUCSWNYXBN-UHFFFAOYSA-N
XLogP4.21
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71304854) is 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCOc1ccccc1OCc1nn2c(C3CCCCC3)nnc2s1.
What is the InChIKey of 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is MPVFBUCSWNYXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-2-23-14-10-6-7-11-15(14)24-12-16-21-22-17(19-20-18(22)25-16)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3.
What are the key properties of 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 358.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71304854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).