3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine

C7H13NS — CID 15621305

IUPAC3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESC1CCN2CCSC2C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2
InChIKeyOLESZYPRHBZVQR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.55
Rot. Bonds

About 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine

3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (PubChem CID 15621305) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
PubChem CID15621305
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESC1CCN2CCSC2C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2
InChIKeyOLESZYPRHBZVQR-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (CID 15621305) is 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is C1CCN2CCSC2C1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The InChIKey is OLESZYPRHBZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2.
What are the key properties of 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine has a molecular weight of 143.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is sourced from PubChem (CID 15621305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).