3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C13H24N4S — CID 71852857

IUPAC3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN(C)C2CCCCCC2)ns1
InChIInChI=1S/C13H24N4S/c1-16(2)13-14-12(15-18-13)10-17(3)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3
InChIKeyREKMYCLEBSAJSK-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.76
Rot. Bonds4

About 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 71852857) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID71852857
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN(C)C2CCCCCC2)ns1
InChIInChI=1S/C13H24N4S/c1-16(2)13-14-12(15-18-13)10-17(3)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3
InChIKeyREKMYCLEBSAJSK-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 71852857) is 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN(C)C2CCCCCC2)ns1.
What is the InChIKey of 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is REKMYCLEBSAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-16(2)13-14-12(15-18-13)10-17(3)11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3.
What are the key properties of 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cycloheptyl(methyl)amino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).