4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine

C14H26N4S — CID 55046320

IUPAC4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C1CCCC(C)C1
InChIInChI=1S/C14H26N4S/c1-4-8-15-14-13(16-17-19-14)10-18(3)12-7-5-6-11(2)9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyROYUOWZZHTYHPL-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.37
Rot. Bonds6

About 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046320) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046320
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C1CCCC(C)C1
InChIInChI=1S/C14H26N4S/c1-4-8-15-14-13(16-17-19-14)10-18(3)12-7-5-6-11(2)9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyROYUOWZZHTYHPL-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046320) is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C1CCCC(C)C1.
What is the InChIKey of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is ROYUOWZZHTYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-8-15-14-13(16-17-19-14)10-18(3)12-7-5-6-11(2)9-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 282.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).