(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C19H18N2O2S2 — CID 5295362

IUPAC(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCCOc1ccc(C2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1
InChIInChI=1S/C19H18N2O2S2/c1-2-23-15-10-8-13(9-11-15)18-21-16(12-25-18)17(22)20(19(21)24)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3/t16-,18?/m0/s1
InChIKeyMPDDKPHLUUHKJM-ATNAJCNCSA-N
MW370.50 g/mol
LogP3.83
Rot. Bonds4

About (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 5295362) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID5295362
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCCOc1ccc(C2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1
InChIInChI=1S/C19H18N2O2S2/c1-2-23-15-10-8-13(9-11-15)18-21-16(12-25-18)17(22)20(19(21)24)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3/t16-,18?/m0/s1
InChIKeyMPDDKPHLUUHKJM-ATNAJCNCSA-N
XLogP3.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7aR)-3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5295363
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 5031449
(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
(7aR)-3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 17385931
3,6-bis(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3556780
(3S,7aR)-6-(4-methoxyphenyl)-3-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7732332
methyl 4-[(7aR)-6-(4-ethoxycarbonylphenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-3-yl]benzoate
CID 5295359
ethyl 4-[(3R,7aR)-3-(4-fluorophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate
CID 1282099
ethyl 4-[3-(4-fluorophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate
CID 3857807
(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,7aS)-6-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7268934
(3R,7aR)-6-(4-acetylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 29091952

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 5295362) is (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is CCOc1ccc(C2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1.
What is the InChIKey of (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is MPDDKPHLUUHKJM-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-2-23-15-10-8-13(9-11-15)18-21-16(12-25-18)17(22)20(19(21)24)14-6-4-3-5-7-14/h3-11,16,18H,2,12H2,1H3/t16-,18?/m0/s1.
What are the key properties of (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
(7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 370.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-(4-ethoxyphenyl)-6-phenyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 5295362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).