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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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).