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

C19H18N2O3S — CID 7333526

IUPAC(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-4-3-5-14(10-12)20-17(22)16-11-25-18(21(16)19(20)23)13-6-8-15(24-2)9-7-13/h3-10,16,18H,11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHSPWABTZKCKEMH-WMZOPIPTSA-N
MW354.43 g/mol
LogP3.59
Rot. Bonds3

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

(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 7333526) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID7333526
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCOc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-4-3-5-14(10-12)20-17(22)16-11-25-18(21(16)19(20)23)13-6-8-15(24-2)9-7-13/h3-10,16,18H,11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHSPWABTZKCKEMH-WMZOPIPTSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7268934
(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-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294585
(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-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295362
methyl (3R,7aS)-6-(3-chlorophenyl)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-3-carboxylate
CID 7100533
(3S,3aR,6aR)-3-(4-methoxyphenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6973211
(3R,3aS,6aS)-3-(4-methoxyphenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11887682

Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 7333526) is (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-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(C)c4)C(=O)N32)cc1.
What is the InChIKey of (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is HSPWABTZKCKEMH-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-4-3-5-14(10-12)20-17(22)16-11-25-18(21(16)19(20)23)13-6-8-15(24-2)9-7-13/h3-10,16,18H,11H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 354.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-3-(4-methoxyphenyl)-6-(3-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 7333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).