(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one

C17H13BrN2OS — CID 135672066

IUPAC(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrN2OS/c1-11-2-8-14(9-3-11)19-16-15(22-17(21)20-16)10-12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyJPXFELFCMUTLFL-GDNBJRDFSA-N
MW373.28 g/mol
LogP5.29
Rot. Bonds2

About (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one

(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135672066) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135672066
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13BrN2OS/c1-11-2-8-14(9-3-11)19-16-15(22-17(21)20-16)10-12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,20,21)/b15-10-
InChIKeyJPXFELFCMUTLFL-GDNBJRDFSA-N
XLogP5.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
CID 135555338
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135711756
4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoic acid
CID 135711795
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9484611
4-[[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzenesulfonamide
CID 135711742
ethyl 4-[[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoate
CID 135711687
(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135782306
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
5-[(4-bromophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500656
(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135634039
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (CID 135672066) is (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one is Cc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is JPXFELFCMUTLFL-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c1-11-2-8-14(9-3-11)19-16-15(22-17(21)20-16)10-12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,20,21)/b15-10-.
What are the key properties of (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 373.28 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135672066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).