[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine

C14H22N6S — CID 94962752

IUPAC[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2CCC2CCCCC2)s1
InChIInChI=1S/C14H22N6S/c1-10-16-18-14(21-10)20-13(12(9-15)17-19-20)8-7-11-5-3-2-4-6-11/h11H,2-9,15H2,1H3
InChIKeyRALSLUXEJXTTTQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.40
Rot. Bonds5

About [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine

[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 94962752) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
PubChem CID94962752
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2CCC2CCCCC2)s1
InChIInChI=1S/C14H22N6S/c1-10-16-18-14(21-10)20-13(12(9-15)17-19-20)8-7-11-5-3-2-4-6-11/h11H,2-9,15H2,1H3
InChIKeyRALSLUXEJXTTTQ-UHFFFAOYSA-N
XLogP2.40
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine 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 [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine (CID 94962752) is [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine is Cc1nnc(-n2nnc(CN)c2CCC2CCCCC2)s1.
What is the InChIKey of [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is RALSLUXEJXTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-10-16-18-14(21-10)20-13(12(9-15)17-19-20)8-7-11-5-3-2-4-6-11/h11H,2-9,15H2,1H3.
What are the key properties of [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 306.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 94962752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).