N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine

C8H16N6S — CID 117044496

IUPACN-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine
SMILESCN1CCNC(CCNc2nnns2)C1
InChIInChI=1S/C8H16N6S/c1-14-5-4-9-7(6-14)2-3-10-8-11-12-13-15-8/h7,9H,2-6H2,1H3,(H,10,11,13)
InChIKeyPYQMGKIXGIJOEK-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.36
Rot. Bonds4

About N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine

N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine (PubChem CID 117044496) has the molecular formula C8H16N6S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine
PubChem CID117044496
Molecular FormulaC8H16N6S
Molecular Weight228.32 g/mol
Exact Mass228.12
IUPAC NameN-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine
SMILESCN1CCNC(CCNc2nnns2)C1
InChIInChI=1S/C8H16N6S/c1-14-5-4-9-7(6-14)2-3-10-8-11-12-13-15-8/h7,9H,2-6H2,1H3,(H,10,11,13)
InChIKeyPYQMGKIXGIJOEK-UHFFFAOYSA-N
XLogP-0.36
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-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-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine?
The IUPAC name of N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine (CID 117044496) is N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine is CN1CCNC(CCNc2nnns2)C1.
What is the InChIKey of N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine?
The InChIKey is PYQMGKIXGIJOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6S/c1-14-5-4-9-7(6-14)2-3-10-8-11-12-13-15-8/h7,9H,2-6H2,1H3,(H,10,11,13).
What are the key properties of N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine?
N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine has a molecular weight of 228.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-2-yl)ethyl]thiatriazol-5-amine is sourced from PubChem (CID 117044496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).