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

C12H18N4S — CID 65277118

IUPAC3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC2C(Nc3nc(C4CC4)ns3)CCN2C1
InChIInChI=1S/C12H18N4S/c1-2-10-9(5-7-16(10)6-1)13-12-14-11(15-17-12)8-3-4-8/h8-10H,1-7H2,(H,13,14,15)
InChIKeyIZAKJOZPAHRWBJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.06
Rot. Bonds3

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

3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277118) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65277118
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC2C(Nc3nc(C4CC4)ns3)CCN2C1
InChIInChI=1S/C12H18N4S/c1-2-10-9(5-7-16(10)6-1)13-12-14-11(15-17-12)8-3-4-8/h8-10H,1-7H2,(H,13,14,15)
InChIKeyIZAKJOZPAHRWBJ-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine (CID 65277118) is 3-cyclopropyl-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-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine is C1CC2C(Nc3nc(C4CC4)ns3)CCN2C1.
What is the InChIKey of 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IZAKJOZPAHRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-10-9(5-7-16(10)6-1)13-12-14-11(15-17-12)8-3-4-8/h8-10H,1-7H2,(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 250.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).