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

C18H17FN2OS — CID 155535728

IUPAC(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(F)cc3)S2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21-12-17(11-13-3-9-16(22-2)10-4-13)23-18(21)20-15-7-5-14(19)6-8-15/h3-11H,12H2,1-2H3/b17-11-,20-18+
InChIKeyAQDLHVNMYXFABK-LRNOFODQSA-N
MW328.41 g/mol
LogP4.54
Rot. Bonds3

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

(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 155535728) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
PubChem CID155535728
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(F)cc3)S2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21-12-17(11-13-3-9-16(22-2)10-4-13)23-18(21)20-15-7-5-14(19)6-8-15/h3-11H,12H2,1-2H3/b17-11-,20-18+
InChIKeyAQDLHVNMYXFABK-LRNOFODQSA-N
XLogP4.54
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.54
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)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (CID 155535728) is (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(F)cc3)S2)cc1.
What is the InChIKey of (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is AQDLHVNMYXFABK-LRNOFODQSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-21-12-17(11-13-3-9-16(22-2)10-4-13)23-18(21)20-15-7-5-14(19)6-8-15/h3-11H,12H2,1-2H3/b17-11-,20-18+.
What are the key properties of (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 328.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155535728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).