N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

C13H24N4S — CID 55046091

IUPACN-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCC(C)CC1
InChIInChI=1S/C13H24N4S/c1-4-14-13-12(15-16-18-13)9-17(3)11-7-5-10(2)6-8-11/h10-11,14H,4-9H2,1-3H3
InChIKeyJUYAKLIDINBJFS-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine

N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (PubChem CID 55046091) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
PubChem CID55046091
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(C)C1CCC(C)CC1
InChIInChI=1S/C13H24N4S/c1-4-14-13-12(15-16-18-13)9-17(3)11-7-5-10(2)6-8-11/h10-11,14H,4-9H2,1-3H3
InChIKeyJUYAKLIDINBJFS-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine 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

5-Cyclohexylamino-4-thiocarbamoyl-1,2,3-thiadiazole
CID 14146092
N-propyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531037
N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531615
N-ethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65531616
N-propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532198
N-methyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532777
N-ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazol-5-amine
CID 65532967
4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046074
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 55046093
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046139
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046189
4-[(2-ethylpiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine (CID 55046091) is N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is CCNc1snnc1CN(C)C1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is JUYAKLIDINBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-14-13-12(15-16-18-13)9-17(3)11-7-5-10(2)6-8-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 55046091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).