1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one

C21H19N3O3S2 — CID 3744324

IUPAC1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2CC(=O)N(c3nc(-c4ccc(OC)cc4)cs3)C2=S)cc1
InChIInChI=1S/C21H19N3O3S2/c1-3-27-17-10-6-15(7-11-17)23-12-19(25)24(21(23)28)20-22-18(13-29-20)14-4-8-16(26-2)9-5-14/h4-11,13H,3,12H2,1-2H3
InChIKeyFQEOZCTYQDVJRD-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one

1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 3744324) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
PubChem CID3744324
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one
SMILESCCOc1ccc(N2CC(=O)N(c3nc(-c4ccc(OC)cc4)cs3)C2=S)cc1
InChIInChI=1S/C21H19N3O3S2/c1-3-27-17-10-6-15(7-11-17)23-12-19(25)24(21(23)28)20-22-18(13-29-20)14-4-8-16(26-2)9-5-14/h4-11,13H,3,12H2,1-2H3
InChIKeyFQEOZCTYQDVJRD-UHFFFAOYSA-N
XLogP4.36
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 134092663
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
17-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2837111
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-ethoxyphenyl)-1,3-thiazole;2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-propylphenyl)-1,3-thiazole
CID 161450429
(4S)-4-ethyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
CID 30023824
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
CID 43817550

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one (CID 3744324) is 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one is CCOc1ccc(N2CC(=O)N(c3nc(-c4ccc(OC)cc4)cs3)C2=S)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FQEOZCTYQDVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-3-27-17-10-6-15(7-11-17)23-12-19(25)24(21(23)28)20-22-18(13-29-20)14-4-8-16(26-2)9-5-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one?
1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 425.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3744324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).