(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C9H16N2OS2Si — CID 139692465

IUPAC(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCC1SC[C@H]2C(=O)N([Si](C)(C)C)C(=S)N12
InChIInChI=1S/C9H16N2OS2Si/c1-6-10-7(5-14-6)8(12)11(9(10)13)15(2,3)4/h6-7H,5H2,1-4H3/t6?,7-/m0/s1
InChIKeyJXFHZMZOXQEMEV-MLWJPKLSSA-N
MW260.46 g/mol
LogP1.71
Rot. Bonds1

About (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 139692465) has the molecular formula C9H16N2OS2Si and a molecular weight of 260.46 g/mol. Its IUPAC name is (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID139692465
Molecular FormulaC9H16N2OS2Si
Molecular Weight260.46 g/mol
Exact Mass260.05
IUPAC Name(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCC1SC[C@H]2C(=O)N([Si](C)(C)C)C(=S)N12
InChIInChI=1S/C9H16N2OS2Si/c1-6-10-7(5-14-6)8(12)11(9(10)13)15(2,3)4/h6-7H,5H2,1-4H3/t6?,7-/m0/s1
InChIKeyJXFHZMZOXQEMEV-MLWJPKLSSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 139692465) is (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is CC1SC[C@H]2C(=O)N([Si](C)(C)C)C(=S)N12.
What is the InChIKey of (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is JXFHZMZOXQEMEV-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H16N2OS2Si/c1-6-10-7(5-14-6)8(12)11(9(10)13)15(2,3)4/h6-7H,5H2,1-4H3/t6?,7-/m0/s1.
What are the key properties of (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
(7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 260.46 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-methyl-5-sulfanylidene-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 139692465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).