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

C13H20N2O2S — CID 11909667

IUPAC(8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)CN1C1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c16-12-7-14(10-5-3-1-2-4-6-10)13(17)11-8-18-9-15(11)12/h10-11H,1-9H2/t11-/m0/s1
InChIKeyDRMSRNWQRLBKDG-NSHDSACASA-N
MW268.38 g/mol
LogP1.45
Rot. Bonds1

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

(8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 11909667) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID11909667
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)CN1C1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c16-12-7-14(10-5-3-1-2-4-6-10)13(17)11-8-18-9-15(11)12/h10-11H,1-9H2/t11-/m0/s1
InChIKeyDRMSRNWQRLBKDG-NSHDSACASA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 11909667) is (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1[C@@H]2CSCN2C(=O)CN1C1CCCCCC1.
What is the InChIKey of (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is DRMSRNWQRLBKDG-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-12-7-14(10-5-3-1-2-4-6-10)13(17)11-8-18-9-15(11)12/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
(8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 268.38 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-cycloheptyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 11909667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).