(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C14H18N2O2SSi — CID 67924883

IUPAC(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESC[Si](C)(C)N1C(=O)[C@@H]2CSC(c3ccccc3)N2C1=O
InChIInChI=1S/C14H18N2O2SSi/c1-20(2,3)16-12(17)11-9-19-13(15(11)14(16)18)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyVJZWQFOMAOJLDD-AMGKYWFPSA-N
MW306.46 g/mol
LogP2.90
Rot. Bonds2

About (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 67924883) has the molecular formula C14H18N2O2SSi and a molecular weight of 306.46 g/mol. Its IUPAC name is (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID67924883
Molecular FormulaC14H18N2O2SSi
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESC[Si](C)(C)N1C(=O)[C@@H]2CSC(c3ccccc3)N2C1=O
InChIInChI=1S/C14H18N2O2SSi/c1-20(2,3)16-12(17)11-9-19-13(15(11)14(16)18)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyVJZWQFOMAOJLDD-AMGKYWFPSA-N
XLogP2.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 67924883) is (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is C[Si](C)(C)N1C(=O)[C@@H]2CSC(c3ccccc3)N2C1=O.
What is the InChIKey of (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is VJZWQFOMAOJLDD-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H18N2O2SSi/c1-20(2,3)16-12(17)11-9-19-13(15(11)14(16)18)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 306.46 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-phenyl-6-trimethylsilyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 67924883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).