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

C9H14N2O2S — CID 101424333

IUPAC(6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESC[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O
InChIInChI=1S/C9H14N2O2S/c1-5-8(13)11-6(7(12)10-5)4-14-9(11,2)3/h5-6H,4H2,1-3H3,(H,10,12)/t5-,6-/m0/s1
InChIKeyPDSXRUZIFDBXOC-WDSKDSINSA-N
MW214.29 g/mol
LogP0.18
Rot. Bonds

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

(6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 101424333) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID101424333
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESC[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O
InChIInChI=1S/C9H14N2O2S/c1-5-8(13)11-6(7(12)10-5)4-14-9(11,2)3/h5-6H,4H2,1-3H3,(H,10,12)/t5-,6-/m0/s1
InChIKeyPDSXRUZIFDBXOC-WDSKDSINSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 101424333) is (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is C[C@@H]1NC(=O)[C@@H]2CSC(C)(C)N2C1=O.
What is the InChIKey of (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is PDSXRUZIFDBXOC-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-8(13)11-6(7(12)10-5)4-14-9(11,2)3/h5-6H,4H2,1-3H3,(H,10,12)/t5-,6-/m0/s1.
What are the key properties of (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
(6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 214.29 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aR)-3,3,6-trimethyl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 101424333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).