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

C18H16N2O2S — CID 11771683

IUPAC(3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2/t15-,17-/m0/s1
InChIKeyNAMOLZDECBHWKJ-RDJZCZTQSA-N
MW324.40 g/mol
LogP3.27
Rot. Bonds3

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

(3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 11771683) has the molecular formula C18H16N2O2S and a molecular weight of 324.40 g/mol. Its IUPAC name is (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID11771683
Molecular FormulaC18H16N2O2S
Molecular Weight324.40 g/mol
Exact Mass324.09
IUPAC Name(3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H16N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2/t15-,17-/m0/s1
InChIKeyNAMOLZDECBHWKJ-RDJZCZTQSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.27
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 (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 11771683) is (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is NAMOLZDECBHWKJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2/t15-,17-/m0/s1.
What are the key properties of (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 324.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-6-benzyl-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 11771683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).