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

C11H18N4S — CID 65277172

IUPAC3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)12-8-5-7-15-6-3-4-9(8)15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyTUCWZWRMURALIB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.75
Rot. Bonds3

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

3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277172) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65277172
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)12-8-5-7-15-6-3-4-9(8)15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyTUCWZWRMURALIB-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine (CID 65277172) is 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCN3CCCC23)n1.
What is the InChIKey of 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TUCWZWRMURALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)12-8-5-7-15-6-3-4-9(8)15/h8-9H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 238.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).