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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Related Compounds

CID 71866356
CID 71866356
CID 84591120
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CID 132380131
CID 132380131
CID 65273980
CID 65273980
CID 107304700
CID 107304700
CID 107304840
CID 107304840
CID 107305031
CID 107305031
CID 107305195
CID 107305195
CID 107305449
CID 107305449
CID 107306301
CID 107306301
CID 113772994
CID 113772994
CID 113943892
CID 113943892

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).