(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

C11H18N2O2S — CID 101424334

IUPAC(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O
InChIInChI=1S/C11H18N2O2S/c1-6(2)8-10(15)13-7(9(14)12-8)5-16-11(13,3)4/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8-/m0/s1
InChIKeyJGFNZRBPHGVRJE-YUMQZZPRSA-N
MW242.34 g/mol
LogP0.82
Rot. Bonds1

About (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 101424334) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID101424334
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O
InChIInChI=1S/C11H18N2O2S/c1-6(2)8-10(15)13-7(9(14)12-8)5-16-11(13,3)4/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8-/m0/s1
InChIKeyJGFNZRBPHGVRJE-YUMQZZPRSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione with MolForge

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Related Compounds

(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325718
Cyclo(-Met-Pro)
CID 6502027
Cyclo-Met-Pro-diketopiperazine
CID 6428989
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
3H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-
CID 3074209
(3S,6S)-3-(2-methylsulfanylethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 163112287
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073
8-Acetyl-7,7-dimethyl-6-thia-3,8-diazabicyclo[3.2.1]octan-2-one
CID 12792366
8-methyl-N-(3-methylbutyl)-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919142
N-(3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl)acetamide
CID 53518579
2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
CID 75374709

Frequently Asked Questions

What is the IUPAC name of (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 101424334) is (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is CC(C)[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O.
What is the InChIKey of (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is JGFNZRBPHGVRJE-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6(2)8-10(15)13-7(9(14)12-8)5-16-11(13,3)4/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8-/m0/s1.
What are the key properties of (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
(6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 242.34 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aR)-3,3-dimethyl-6-propan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 101424334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).