(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C16H13BrN2OS2 — CID 137044010

IUPAC(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc(C)c1Br
InChIInChI=1S/C16H13BrN2OS2/c1-9-6-11(7-10(2)14(9)17)18-16-19-15(20)13(22-16)8-12-4-3-5-21-12/h3-8H,1-2H3,(H,18,19,20)/b13-8-
InChIKeyVUQQZOAEDJMQLI-JYRVWZFOSA-N
MW393.33 g/mol
LogP5.02
Rot. Bonds2

About (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 137044010) has the molecular formula C16H13BrN2OS2 and a molecular weight of 393.33 g/mol. Its IUPAC name is (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID137044010
Molecular FormulaC16H13BrN2OS2
Molecular Weight393.33 g/mol
Exact Mass391.97
IUPAC Name(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1cc(/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc(C)c1Br
InChIInChI=1S/C16H13BrN2OS2/c1-9-6-11(7-10(2)14(9)17)18-16-19-15(20)13(22-16)8-12-4-3-5-21-12/h3-8H,1-2H3,(H,18,19,20)/b13-8-
InChIKeyVUQQZOAEDJMQLI-JYRVWZFOSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-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

2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135870759
4-methyl-3-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765886
(5Z)-2-(4-ethoxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136736934
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563100
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137063570
(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135592451
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137020296
2-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834503
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[(2-chloro-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137021239
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137021050
(5Z)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-2-(4-bromo-3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137020140

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 137044010) is (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is Cc1cc(/N=C2\NC(=O)/C(=C/c3cccs3)S2)cc(C)c1Br.
What is the InChIKey of (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VUQQZOAEDJMQLI-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H13BrN2OS2/c1-9-6-11(7-10(2)14(9)17)18-16-19-15(20)13(22-16)8-12-4-3-5-21-12/h3-8H,1-2H3,(H,18,19,20)/b13-8-.
What are the key properties of (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 393.33 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137044010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).