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

C10H16N4S — CID 65267753

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C10H16N4S/c1-7-11-10(15-13-7)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyXWDSLBPHAFGWHS-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.50
Rot. Bonds2

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

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267753) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267753
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C10H16N4S/c1-7-11-10(15-13-7)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyXWDSLBPHAFGWHS-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.50
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-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267753) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-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-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCN3CCCC23)n1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XWDSLBPHAFGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-11-10(15-13-7)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 224.33 g/mol, XLogP of 1.50, 2 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-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).