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

C10H18N4OS — CID 65267858

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-9-12-10(16-13-9)11-3-2-4-14-5-7-15-8-6-14/h2-8H2,1H3,(H,11,12,13)
InChIKeyJKGIDTFWLHUJER-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.98
Rot. Bonds5

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

3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267858) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267858
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-9-12-10(16-13-9)11-3-2-4-14-5-7-15-8-6-14/h2-8H2,1H3,(H,11,12,13)
InChIKeyJKGIDTFWLHUJER-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.98
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-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267858) is 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCN2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JKGIDTFWLHUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-9-12-10(16-13-9)11-3-2-4-14-5-7-15-8-6-14/h2-8H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).