2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole

C10H14N2S — CID 67661922

IUPAC2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole
SMILESc1csc(C2CCC3CCCN32)n1
InChIInChI=1S/C10H14N2S/c1-2-8-3-4-9(12(8)6-1)10-11-5-7-13-10/h5,7-9H,1-4,6H2
InChIKeyJUJHMVUMQOROIX-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.44
Rot. Bonds1

About 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole

2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole (PubChem CID 67661922) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole
PubChem CID67661922
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole
SMILESc1csc(C2CCC3CCCN32)n1
InChIInChI=1S/C10H14N2S/c1-2-8-3-4-9(12(8)6-1)10-11-5-7-13-10/h5,7-9H,1-4,6H2
InChIKeyJUJHMVUMQOROIX-UHFFFAOYSA-N
XLogP2.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole (CID 67661922) is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole is c1csc(C2CCC3CCCN32)n1.
What is the InChIKey of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole?
The InChIKey is JUJHMVUMQOROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-8-3-4-9(12(8)6-1)10-11-5-7-13-10/h5,7-9H,1-4,6H2.
What are the key properties of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole?
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole has a molecular weight of 194.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole is sourced from PubChem (CID 67661922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).