N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 65277119

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C12H20N4S/c1-2-4-11-14-12(17-15-11)13-9-6-8-16-7-3-5-10(9)16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyWFKFDXIQVYUDNX-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.14
Rot. Bonds4

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277119) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65277119
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C12H20N4S/c1-2-4-11-14-12(17-15-11)13-9-6-8-16-7-3-5-10(9)16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyWFKFDXIQVYUDNX-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65277119) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCN3CCCC23)n1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WFKFDXIQVYUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-4-11-14-12(17-15-11)13-9-6-8-16-7-3-5-10(9)16/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).