5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

C10H18N4S — CID 66278795

IUPAC5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CCCCCC1
InChIInChI=1S/C10H18N4S/c1-14(10-12-9(11)13-15-10)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyAEVUKYSQMMPFPN-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.28
Rot. Bonds2

About 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278795) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278795
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CCCCCC1
InChIInChI=1S/C10H18N4S/c1-14(10-12-9(11)13-15-10)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyAEVUKYSQMMPFPN-UHFFFAOYSA-N
XLogP2.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine 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 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 66278795) is 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is CN(c1nc(N)ns1)C1CCCCCC1.
What is the InChIKey of 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is AEVUKYSQMMPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14(10-12-9(11)13-15-10)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13).
What are the key properties of 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).