4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

C11H20N4S — CID 62183035

IUPAC4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCCCC1
InChIInChI=1S/C11H20N4S/c1-12-11-10(13-14-16-11)8-15(2)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3
InChIKeyUCJZBWUXXXURPI-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.34
Rot. Bonds4

About 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62183035) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62183035
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCCCC1
InChIInChI=1S/C11H20N4S/c1-12-11-10(13-14-16-11)8-15(2)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3
InChIKeyUCJZBWUXXXURPI-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62183035) is 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is UCJZBWUXXXURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-12-11-10(13-14-16-11)8-15(2)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).