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

C23H20N2O2S2 — CID 2424217

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(Cc2cccs2)C1=O
InChIInChI=1S/C23H20N2O2S2/c1-16-9-11-18(12-10-16)24-23-25(15-19-7-5-13-28-19)22(26)21(29-23)14-17-6-3-4-8-20(17)27-2/h3-14H,15H2,1-2H3/b21-14-,24-23-
InChIKeyAIFBFOCZSLRBGN-PZUCIDFCSA-N
MW420.56 g/mol
LogP5.87
Rot. Bonds5

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

(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2424217) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2424217
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(Cc2cccs2)C1=O
InChIInChI=1S/C23H20N2O2S2/c1-16-9-11-18(12-10-16)24-23-25(15-19-7-5-13-28-19)22(26)21(29-23)14-17-6-3-4-8-20(17)27-2/h3-14H,15H2,1-2H3/b21-14-,24-23-
InChIKeyAIFBFOCZSLRBGN-PZUCIDFCSA-N
XLogP5.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 2424217) is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(Cc2cccs2)C1=O.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is AIFBFOCZSLRBGN-PZUCIDFCSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-16-9-11-18(12-10-16)24-23-25(15-19-7-5-13-28-19)22(26)21(29-23)14-17-6-3-4-8-20(17)27-2/h3-14H,15H2,1-2H3/b21-14-,24-23-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2424217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).