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

C19H20N2OS — CID 155520129

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H20N2OS/c1-14-4-8-16(9-5-14)20-19-21(2)13-18(23-19)12-15-6-10-17(22-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+
InChIKeyASRHFPZWOALNHZ-OCNATQHKSA-N
MW324.45 g/mol
LogP4.71
Rot. Bonds3

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine (PubChem CID 155520129) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine
PubChem CID155520129
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H20N2OS/c1-14-4-8-16(9-5-14)20-19-21(2)13-18(23-19)12-15-6-10-17(22-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+
InChIKeyASRHFPZWOALNHZ-OCNATQHKSA-N
XLogP4.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine (CID 155520129) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(C)cc3)S2)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine?
The InChIKey is ASRHFPZWOALNHZ-OCNATQHKSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-4-8-16(9-5-14)20-19-21(2)13-18(23-19)12-15-6-10-17(22-3)11-7-15/h4-12H,13H2,1-3H3/b18-12-,20-19+.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine has a molecular weight of 324.45 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155520129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).