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

C9H17NS — CID 15570654

IUPAC2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESCCC1CN2CCCCC2S1
InChIInChI=1S/C9H17NS/c1-2-8-7-10-6-4-3-5-9(10)11-8/h8-9H,2-7H2,1H3
InChIKeyQHSRZOOBWOTLDO-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.32
Rot. Bonds1

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

2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (PubChem CID 15570654) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
PubChem CID15570654
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESCCC1CN2CCCCC2S1
InChIInChI=1S/C9H17NS/c1-2-8-7-10-6-4-3-5-9(10)11-8/h8-9H,2-7H2,1H3
InChIKeyQHSRZOOBWOTLDO-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 15570653
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 92983086
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
2-ethyl-1-azabicyclo[7.3.1]tridecane
CID 130354528
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
1-cyclopropyl-3-ethylpiperidine
CID 76560892
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The IUPAC name of 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (CID 15570654) is 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.
What is the SMILES notation for 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The canonical SMILES for 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is CCC1CN2CCCCC2S1.
What is the InChIKey of 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The InChIKey is QHSRZOOBWOTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-8-7-10-6-4-3-5-9(10)11-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is sourced from PubChem (CID 15570654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).