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

C18H15FN2O3S — CID 5299944

IUPAC(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(F)cc4)N3C2=O)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-14-8-6-13(7-9-14)20-16(22)15-10-25-17(21(15)18(20)23)11-2-4-12(19)5-3-11/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1
InChIKeyPDYUMGUISNDQIC-MYJWUSKBSA-N
MW358.39 g/mol
LogP3.42
Rot. Bonds3

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

(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5299944) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5299944
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(F)cc4)N3C2=O)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-14-8-6-13(7-9-14)20-16(22)15-10-25-17(21(15)18(20)23)11-2-4-12(19)5-3-11/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1
InChIKeyPDYUMGUISNDQIC-MYJWUSKBSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5299944) is (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is COc1ccc(N2C(=O)[C@@H]3CSC(c4ccc(F)cc4)N3C2=O)cc1.
What is the InChIKey of (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is PDYUMGUISNDQIC-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-24-14-8-6-13(7-9-14)20-16(22)15-10-25-17(21(15)18(20)23)11-2-4-12(19)5-3-11/h2-9,15,17H,10H2,1H3/t15-,17?/m0/s1.
What are the key properties of (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 358.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5299944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).