(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine

C19H20N2O2S — CID 155547884

IUPAC(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C19H20N2O2S/c1-21-13-18(12-14-4-8-16(22-2)9-5-14)24-19(21)20-15-6-10-17(23-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+
InChIKeyQRUZOBOCAAEOKQ-OCNATQHKSA-N
MW340.45 g/mol
LogP4.41
Rot. Bonds4

About (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine

(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 155547884) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
PubChem CID155547884
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C19H20N2O2S/c1-21-13-18(12-14-4-8-16(22-2)9-5-14)24-19(21)20-15-6-10-17(23-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+
InChIKeyQRUZOBOCAAEOKQ-OCNATQHKSA-N
XLogP4.41
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (CID 155547884) is (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(OC)cc3)S2)cc1.
What is the InChIKey of (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is QRUZOBOCAAEOKQ-OCNATQHKSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21-13-18(12-14-4-8-16(22-2)9-5-14)24-19(21)20-15-6-10-17(23-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+.
What are the key properties of (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
(5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 340.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155547884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).