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

C18H18N2OS — CID 166943627

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\S/C(=C\c2ccc(OC)cc2)CN1c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-19-18-20(15-6-4-3-5-7-15)13-17(22-18)12-14-8-10-16(21-2)11-9-14/h3-12H,13H2,1-2H3/b17-12-,19-18-
InChIKeyUZVUTPGIADNNLW-BSGAIONXSA-N
MW310.42 g/mol
LogP4.28
Rot. Bonds3

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine (PubChem CID 166943627) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine
PubChem CID166943627
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\S/C(=C\c2ccc(OC)cc2)CN1c1ccccc1
InChIInChI=1S/C18H18N2OS/c1-19-18-20(15-6-4-3-5-7-15)13-17(22-18)12-14-8-10-16(21-2)11-9-14/h3-12H,13H2,1-2H3/b17-12-,19-18-
InChIKeyUZVUTPGIADNNLW-BSGAIONXSA-N
XLogP4.28
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.28
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]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine (CID 166943627) is (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine is C/N=C1\S/C(=C\c2ccc(OC)cc2)CN1c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is UZVUTPGIADNNLW-BSGAIONXSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-19-18-20(15-6-4-3-5-7-15)13-17(22-18)12-14-8-10-16(21-2)11-9-14/h3-12H,13H2,1-2H3/b17-12-,19-18-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine?
(5Z)-5-[(4-methoxyphenyl)methylidene]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 310.42 g/mol, XLogP of 4.28, 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]-N-methyl-3-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 166943627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).