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

C12H11NO3S — CID 2110837

IUPAC(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-9-4-2-8(3-5-9)10(14)6-12-13-11(15)7-17-12/h2-6H,7H2,1H3,(H,13,15)/b12-6-
InChIKeyNCDRCSXDLFLEDJ-SDQBBNPISA-N
MW249.29 g/mol
LogP1.58
Rot. Bonds3

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

(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 2110837) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID2110837
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-9-4-2-8(3-5-9)10(14)6-12-13-11(15)7-17-12/h2-6H,7H2,1H3,(H,13,15)/b12-6-
InChIKeyNCDRCSXDLFLEDJ-SDQBBNPISA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2-oxopropylidene)-1,3-thiazolidin-4-one
CID 138511626
2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172943379
[4-[[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 135736980
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
CID 10682780
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 2110837) is (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=C2/NC(=O)CS2)cc1.
What is the InChIKey of (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is NCDRCSXDLFLEDJ-SDQBBNPISA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-9-4-2-8(3-5-9)10(14)6-12-13-11(15)7-17-12/h2-6H,7H2,1H3,(H,13,15)/b12-6-.
What are the key properties of (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 249.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2110837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).