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

C12H22N4S — CID 55046314

IUPAC4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCCCCC1
InChIInChI=1S/C12H22N4S/c1-13-12-11(14-15-17-12)9-16(2)10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyRUCMWBCTFPYBLS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.73
Rot. Bonds4

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

4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 55046314) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID55046314
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)C1CCCCCC1
InChIInChI=1S/C12H22N4S/c1-13-12-11(14-15-17-12)9-16(2)10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyRUCMWBCTFPYBLS-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 55046314) is 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)C1CCCCCC1.
What is the InChIKey of 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is RUCMWBCTFPYBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-13-12-11(14-15-17-12)9-16(2)10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 55046314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).