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

C10H18N4S — CID 65268167

IUPAC3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCCC2)n1
InChIInChI=1S/C10H18N4S/c1-9-12-10(15-13-9)11-5-4-8-14-6-2-3-7-14/h2-8H2,1H3,(H,11,12,13)
InChIKeyNVRUBQOCKVCDJN-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.74
Rot. Bonds5

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

3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268167) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268167
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCN2CCCC2)n1
InChIInChI=1S/C10H18N4S/c1-9-12-10(15-13-9)11-5-4-8-14-6-2-3-7-14/h2-8H2,1H3,(H,11,12,13)
InChIKeyNVRUBQOCKVCDJN-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268167) is 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCN2CCCC2)n1.
What is the InChIKey of 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NVRUBQOCKVCDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-9-12-10(15-13-9)11-5-4-8-14-6-2-3-7-14/h2-8H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).