N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine

C12H22N4OS — CID 65271038

IUPACN-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-2-4-11-14-12(18-15-11)13-5-3-6-16-7-9-17-10-8-16/h2-10H2,1H3,(H,13,14,15)
InChIKeyDGUNKAKUIMFFAS-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.62
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271038) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271038
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H22N4OS/c1-2-4-11-14-12(18-15-11)13-5-3-6-16-7-9-17-10-8-16/h2-10H2,1H3,(H,13,14,15)
InChIKeyDGUNKAKUIMFFAS-UHFFFAOYSA-N
XLogP1.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-3-propyl-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-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271038) is N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCCN2CCOCC2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DGUNKAKUIMFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-2-4-11-14-12(18-15-11)13-5-3-6-16-7-9-17-10-8-16/h2-10H2,1H3,(H,13,14,15).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 270.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).