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

C19H15F3N2O2S — CID 5294584

IUPAC(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(C(F)(F)F)cc4)N3C2=O)cc1
InChIInChI=1S/C19H15F3N2O2S/c1-11-2-8-14(9-3-11)23-16(25)15-10-27-17(24(15)18(23)26)12-4-6-13(7-5-12)19(20,21)22/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1
InChIKeyQPFVHNLSKYARRB-MYJWUSKBSA-N
MW392.40 g/mol
LogP4.60
Rot. Bonds2

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

(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5294584) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5294584
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(C(F)(F)F)cc4)N3C2=O)cc1
InChIInChI=1S/C19H15F3N2O2S/c1-11-2-8-14(9-3-11)23-16(25)15-10-27-17(24(15)18(23)26)12-4-6-13(7-5-12)19(20,21)22/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1
InChIKeyQPFVHNLSKYARRB-MYJWUSKBSA-N
XLogP4.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.60
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-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5294584) is (7aR)-6-(4-methylphenyl)-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-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is Cc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(C(F)(F)F)cc4)N3C2=O)cc1.
What is the InChIKey of (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is QPFVHNLSKYARRB-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-11-2-8-14(9-3-11)23-16(25)15-10-27-17(24(15)18(23)26)12-4-6-13(7-5-12)19(20,21)22/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1.
What are the key properties of (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 392.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5294584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).