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

C8H15NS — CID 15570653

IUPAC2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESCC1CN2CCCCC2S1
InChIInChI=1S/C8H15NS/c1-7-6-9-5-3-2-4-8(9)10-7/h7-8H,2-6H2,1H3
InChIKeyYNHFAKFUDDBMMB-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.93
Rot. Bonds

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

2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (PubChem CID 15570653) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
PubChem CID15570653
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
SMILESCC1CN2CCCCC2S1
InChIInChI=1S/C8H15NS/c1-7-6-9-5-3-2-4-8(9)10-7/h7-8H,2-6H2,1H3
InChIKeyYNHFAKFUDDBMMB-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 15570654
3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102
(8aS)-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine
CID 92983086
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
1,2-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 90720386
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
1-azabicyclo[9.1.0]dodecane
CID 87228787
2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 89116377
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The IUPAC name of 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine (CID 15570653) is 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine.
What is the SMILES notation for 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The canonical SMILES for 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is CC1CN2CCCCC2S1.
What is the InChIKey of 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
The InChIKey is YNHFAKFUDDBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-6-9-5-3-2-4-8(9)10-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine?
2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine is sourced from PubChem (CID 15570653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).