2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

C7H10N2O2S — CID 13493892

IUPAC2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESCN1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C7H10N2O2S/c1-8-6(10)5-4-12-3-2-9(5)7(8)11/h5H,2-4H2,1H3
InChIKeyRNVIXPYIQGIRCY-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.00
Rot. Bonds

About 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (PubChem CID 13493892) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.

Molecular Properties

Compound Name2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
PubChem CID13493892
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESCN1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C7H10N2O2S/c1-8-6(10)5-4-12-3-2-9(5)7(8)11/h5H,2-4H2,1H3
InChIKeyRNVIXPYIQGIRCY-UHFFFAOYSA-N
XLogP-0.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The IUPAC name of 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (CID 13493892) is 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.
What is the SMILES notation for 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The canonical SMILES for 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is CN1C(=O)C2CSCCN2C1=O.
What is the InChIKey of 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The InChIKey is RNVIXPYIQGIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-8-6(10)5-4-12-3-2-9(5)7(8)11/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione has a molecular weight of 186.24 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is sourced from PubChem (CID 13493892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).