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

C18H17BrN2OS — CID 155524742

IUPAC(5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(Br)cc3)S2)cc1
InChIInChI=1S/C18H17BrN2OS/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+
InChIKeyHNCFQFIIZKNLIA-LRNOFODQSA-N
MW389.32 g/mol
LogP5.16
Rot. Bonds3

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

(5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 155524742) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
PubChem CID155524742
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name(5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1ccc(/C=C2/CN(C)/C(=N\c3ccc(Br)cc3)S2)cc1
InChIInChI=1S/C18H17BrN2OS/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+
InChIKeyHNCFQFIIZKNLIA-LRNOFODQSA-N
XLogP5.16
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine (CID 155524742) is (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is COc1ccc(/C=C2/CN(C)/C(=N\c3ccc(Br)cc3)S2)cc1.
What is the InChIKey of (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is HNCFQFIIZKNLIA-LRNOFODQSA-N. The full InChI is InChI=1S/C18H17BrN2OS/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-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine?
(5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 389.32 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-(4-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155524742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).