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

C18H13F3N2O2S — CID 5294598

IUPAC(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(C(F)(F)F)cc3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-8-6-11(7-9-12)16-23-14(10-26-16)15(24)22(17(23)25)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1
InChIKeyNERZVJOMKWUVSW-LBAUFKAWSA-N
MW378.38 g/mol
LogP4.29
Rot. Bonds2

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

(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5294598) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5294598
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(C(F)(F)F)cc3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-8-6-11(7-9-12)16-23-14(10-26-16)15(24)22(17(23)25)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1
InChIKeyNERZVJOMKWUVSW-LBAUFKAWSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.29
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-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5294598) is (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CSC(c3ccc(C(F)(F)F)cc3)N2C(=O)N1c1ccccc1.
What is the InChIKey of (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is NERZVJOMKWUVSW-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)12-8-6-11(7-9-12)16-23-14(10-26-16)15(24)22(17(23)25)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1.
What are the key properties of (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 378.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5294598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).