(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one

C19H17NO3S — CID 101426893

IUPAC(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one
SMILESCOCC(=O)/C=C1\SC(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17NO3S/c1-23-13-16(21)12-17-20(15-10-6-3-7-11-15)19(22)18(24-17)14-8-4-2-5-9-14/h2-12,18H,13H2,1H3/b17-12-
InChIKeyAQTCKBOEISAOFW-ATVHPVEESA-N
MW339.42 g/mol
LogP3.56
Rot. Bonds5

About (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one

(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 101426893) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID101426893
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one
SMILESCOCC(=O)/C=C1\SC(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17NO3S/c1-23-13-16(21)12-17-20(15-10-6-3-7-11-15)19(22)18(24-17)14-8-4-2-5-9-14/h2-12,18H,13H2,1H3/b17-12-
InChIKeyAQTCKBOEISAOFW-ATVHPVEESA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.56
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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Related Compounds

(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
CID 10335506
2-(4-oxo-3,5-diphenyl-1,3-thiazolidin-2-ylidene)-1,3-diphenylpropane-1,3-dione
CID 101426889
2-[(5R)-3-(4-methoxyphenyl)-4-oxo-2-(2-oxopropylidene)-1,3-thiazolidin-5-yl]acetic acid
CID 7041647
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one
CID 122194404
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
CID 19087968
ethyl (2S,5S)-7-methyl-3-oxo-2,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 51857790
3-(methoxymethoxy)-1,4-diphenylazetidin-2-one
CID 500118
methyl 2-[[(5S)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl]amino]benzoate
CID 2001632
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
(3aR,7aR)-1-(2-methoxyacetyl)-4-phenyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97422960

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one (CID 101426893) is (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one is COCC(=O)/C=C1\SC(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is AQTCKBOEISAOFW-ATVHPVEESA-N. The full InChI is InChI=1S/C19H17NO3S/c1-23-13-16(21)12-17-20(15-10-6-3-7-11-15)19(22)18(24-17)14-8-4-2-5-9-14/h2-12,18H,13H2,1H3/b17-12-.
What are the key properties of (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one?
(2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-methoxy-2-oxopropylidene)-3,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 101426893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).