(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one

C20H19NO3S — CID 7707011

IUPAC(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=C1\SCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C20H19NO3S/c1-15-7-5-6-10-17(15)18(22)13-20-21(19(23)14-25-20)11-12-24-16-8-3-2-4-9-16/h2-10,13H,11-12,14H2,1H3/b20-13-
InChIKeyNKYOHDIWDJZVKY-MOSHPQCFSA-N
MW353.44 g/mol
LogP3.67
Rot. Bonds6

About (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one

(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 7707011) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
PubChem CID7707011
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=C1\SCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C20H19NO3S/c1-15-7-5-6-10-17(15)18(22)13-20-21(19(23)14-25-20)11-12-24-16-8-3-2-4-9-16/h2-10,13H,11-12,14H2,1H3/b20-13-
InChIKeyNKYOHDIWDJZVKY-MOSHPQCFSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one (CID 7707011) is (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one is Cc1ccccc1C(=O)/C=C1\SCC(=O)N1CCOc1ccccc1.
What is the InChIKey of (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is NKYOHDIWDJZVKY-MOSHPQCFSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-7-5-6-10-17(15)18(22)13-20-21(19(23)14-25-20)11-12-24-16-8-3-2-4-9-16/h2-10,13H,11-12,14H2,1H3/b20-13-.
What are the key properties of (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 353.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 7707011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).