2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C18H16N2O3S — CID 135486739

IUPAC2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=C1S/C(=N/c2ccccc2OC)NC1=O
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-5-3-7-12(14)11-16-17(21)20-18(24-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H,19,20,21)
InChIKeyYGWOHSSSTIVQEK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.60
Rot. Bonds4

About 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135486739) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135486739
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=C1S/C(=N/c2ccccc2OC)NC1=O
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-5-3-7-12(14)11-16-17(21)20-18(24-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H,19,20,21)
InChIKeyYGWOHSSSTIVQEK-UHFFFAOYSA-N
XLogP3.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135463935
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
(5Z)-2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135529565
(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135641348
3-[[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135522733
4-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135955260
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135535310
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486744
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137108476
(5Z)-2-(4-butylphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522734

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135486739) is 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1C=C1S/C(=N/c2ccccc2OC)NC1=O.
What is the InChIKey of 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YGWOHSSSTIVQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-9-5-3-7-12(14)11-16-17(21)20-18(24-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).