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

C19H18N2O4S — CID 7268934

IUPAC(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1
InChIInChI=1S/C19H18N2O4S/c1-24-14-8-6-12(7-9-14)18-21-16(11-26-18)17(22)20(19(21)23)13-4-3-5-15(10-13)25-2/h3-10,16,18H,11H2,1-2H3/t16-,18-/m1/s1
InChIKeySUVPTGXLAIUGEU-SJLPKXTDSA-N
MW370.43 g/mol
LogP3.29
Rot. Bonds4

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

(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 7268934) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID7268934
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1
InChIInChI=1S/C19H18N2O4S/c1-24-14-8-6-12(7-9-14)18-21-16(11-26-18)17(22)20(19(21)23)13-4-3-5-15(10-13)25-2/h3-10,16,18H,11H2,1-2H3/t16-,18-/m1/s1
InChIKeySUVPTGXLAIUGEU-SJLPKXTDSA-N
XLogP3.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7333526
(3S,7aR)-6-(4-methoxyphenyl)-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7732332
(7aR)-3-(4-fluorophenyl)-6-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5299944
(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
(7aR)-6-phenyl-3-(3,4,5-trimethoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294597
(7aR)-3-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17038565
(3R,7aR)-3,6-bis(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7333548
(7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294585
methyl (3R,7aS)-6-(3-chlorophenyl)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-3-carboxylate
CID 7100533
(7aR)-6-(4-methoxyphenyl)-5-sulfanylidene-3-thiophen-3-yl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295795
(3R,7aR)-3-(3-nitrophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7335199
(3R,7aS)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 6559091

Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 7268934) is (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is COc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)N32)cc1.
What is the InChIKey of (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is SUVPTGXLAIUGEU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-14-8-6-12(7-9-14)18-21-16(11-26-18)17(22)20(19(21)23)13-4-3-5-15(10-13)25-2/h3-10,16,18H,11H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 370.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 7268934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).