(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C20H18N2O2S — CID 135766088

IUPAC(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2C)NC1=O
InChIInChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-5-9-15(17)13-18-19(23)22-20(25-18)21-16-10-6-4-8-14(16)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)/b18-13-
InChIKeyAIXYDVLZLONKMQ-AQTBWJFISA-N
MW350.44 g/mol
LogP4.45
Rot. Bonds5

About (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135766088) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135766088
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2C)NC1=O
InChIInChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-5-9-15(17)13-18-19(23)22-20(25-18)21-16-10-6-4-8-14(16)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)/b18-13-
InChIKeyAIXYDVLZLONKMQ-AQTBWJFISA-N
XLogP4.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(5Z)-4-oxo-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834766
(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135892882
[2-[(Z)-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate
CID 137089278
(5Z)-2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135844201
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486837
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118704
(5Z)-2-(2-methylphenyl)imino-5-[(2,4,5-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089313
2-(3-chloro-2-methylphenyl)imino-5-[(2-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135504855
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
(5Z)-2-(2-ethoxyphenyl)imino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135603002
2-[2-[(E)-[2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 135941534

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135766088) is (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C=CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2C)NC1=O.
What is the InChIKey of (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AIXYDVLZLONKMQ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-12-24-17-11-7-5-9-15(17)13-18-19(23)22-20(25-18)21-16-10-6-4-8-14(16)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)/b18-13-.
What are the key properties of (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 350.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135766088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).