(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine

C7H14N2S — CID 130993898

IUPAC(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine
SMILESC[C@H]1CN2CSC[C@H]2CN1
InChIInChI=1S/C7H14N2S/c1-6-3-9-5-10-4-7(9)2-8-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyYSBKEJZVWSWHMV-NKWVEPMBSA-N
MW158.27 g/mol
LogP0.35
Rot. Bonds

About (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine

(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine (PubChem CID 130993898) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine.

Molecular Properties

Compound Name(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine
PubChem CID130993898
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine
SMILESC[C@H]1CN2CSC[C@H]2CN1
InChIInChI=1S/C7H14N2S/c1-6-3-9-5-10-4-7(9)2-8-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyYSBKEJZVWSWHMV-NKWVEPMBSA-N
XLogP0.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749
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(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine
CID 96996203
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800
1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
CID 66667512
1-cyclopropyl-3-methylpiperazine
CID 64926788
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
CID 131223573
[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
CID 130921167
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
methyl (7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine-7-carboxylate
CID 131018943

Frequently Asked Questions

What is the IUPAC name of (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine?
The IUPAC name of (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine (CID 130993898) is (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine.
What is the SMILES notation for (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine?
The canonical SMILES for (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine is C[C@H]1CN2CSC[C@H]2CN1.
What is the InChIKey of (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine?
The InChIKey is YSBKEJZVWSWHMV-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6-3-9-5-10-4-7(9)2-8-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine?
(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine has a molecular weight of 158.27 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine is sourced from PubChem (CID 130993898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).