(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C17H12ClFN2O2S — CID 5294582

IUPAC(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClFN2O2S/c18-11-3-7-13(8-4-11)20-15(22)14-9-24-16(21(14)17(20)23)10-1-5-12(19)6-2-10/h1-8,14,16H,9H2/t14-,16?/m0/s1
InChIKeyVXPKRYQJIBJFDE-LBAUFKAWSA-N
MW362.81 g/mol
LogP4.06
Rot. Bonds2

About (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5294582) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5294582
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC Name(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClFN2O2S/c18-11-3-7-13(8-4-11)20-15(22)14-9-24-16(21(14)17(20)23)10-1-5-12(19)6-2-10/h1-8,14,16H,9H2/t14-,16?/m0/s1
InChIKeyVXPKRYQJIBJFDE-LBAUFKAWSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.06
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 (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5294582) is (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CSC(c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is VXPKRYQJIBJFDE-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c18-11-3-7-13(8-4-11)20-15(22)14-9-24-16(21(14)17(20)23)10-1-5-12(19)6-2-10/h1-8,14,16H,9H2/t14-,16?/m0/s1.
What are the key properties of (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 362.81 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5294582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).