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

C7H13NS — CID 92983086

IUPAC(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESC1CCN2CCS[C@H]2C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2/t7-/m0/s1
InChIKeyOLESZYPRHBZVQR-ZETCQYMHSA-N
MW143.25 g/mol
LogP1.55
Rot. Bonds

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

(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (PubChem CID 92983086) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
PubChem CID92983086
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESC1CCN2CCS[C@H]2C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2/t7-/m0/s1
InChIKeyOLESZYPRHBZVQR-ZETCQYMHSA-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

Analyze (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102
2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 15570653
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine
CID 13049192
2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 15570654
1-cyclohexylpiperidine;methane
CID 143122486
(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane
CID 93499693
1-azabicyclo[9.1.0]dodecane
CID 87228787
1-cyclopropylpiperidine
CID 10909573
1-(thiolan-2-yl)pyrrole
CID 67083380

Frequently Asked Questions

What is the IUPAC name of (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The IUPAC name of (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (CID 92983086) is (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.
What is the SMILES notation for (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The canonical SMILES for (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is C1CCN2CCS[C@H]2C1.
What is the InChIKey of (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The InChIKey is OLESZYPRHBZVQR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
(8aS)-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 (8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is sourced from PubChem (CID 92983086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).