N-cycloheptyl-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 65270924

IUPACN-cycloheptyl-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-6-8(5-3-1)12-9-10-7-11-13-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyZHNYSONGKYAMNH-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.67
Rot. Bonds2

About N-cycloheptyl-1,2,4-thiadiazol-5-amine

N-cycloheptyl-1,2,4-thiadiazol-5-amine (PubChem CID 65270924) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-cycloheptyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-1,2,4-thiadiazol-5-amine
PubChem CID65270924
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-cycloheptyl-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-6-8(5-3-1)12-9-10-7-11-13-9/h7-8H,1-6H2,(H,10,11,12)
InChIKeyZHNYSONGKYAMNH-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1,2,4-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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cycloheptyl-1,2,4-thiadiazol-5-amine (CID 65270924) is N-cycloheptyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cycloheptyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cycloheptyl-1,2,4-thiadiazol-5-amine is c1nsc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZHNYSONGKYAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-4-6-8(5-3-1)12-9-10-7-11-13-9/h7-8H,1-6H2,(H,10,11,12).
What are the key properties of N-cycloheptyl-1,2,4-thiadiazol-5-amine?
N-cycloheptyl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).