3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine

C10H18N4OS — CID 65272722

IUPAC3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C10H18N4OS/c1-8-13-10(16-14-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBZJIEWXHKVWOIJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.03
Rot. Bonds5

About 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65272722) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65272722
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C10H18N4OS/c1-8-13-10(16-14-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBZJIEWXHKVWOIJ-UHFFFAOYSA-N
XLogP1.03
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2-piperidin-4-yloxyethyl)-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 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine (CID 65272722) is 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCOC2CCNCC2)n1.
What is the InChIKey of 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BZJIEWXHKVWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8-13-10(16-14-8)12-6-7-15-9-2-4-11-5-3-9/h9,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-4-yloxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).