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

C13H24N4OS — CID 65270979

IUPAC3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)14-5-4-6-17-7-9-18-10-8-17/h4-10H2,1-3H3,(H,14,15,16)
InChIKeyGPMZNLRLYPBGIY-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.97
Rot. Bonds5

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

3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65270979) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65270979
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)14-5-4-6-17-7-9-18-10-8-17/h4-10H2,1-3H3,(H,14,15,16)
InChIKeyGPMZNLRLYPBGIY-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65270979) is 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCCCN2CCOCC2)n1.
What is the InChIKey of 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GPMZNLRLYPBGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-13(2,3)11-15-12(19-16-11)14-5-4-6-17-7-9-18-10-8-17/h4-10H2,1-3H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 284.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).