5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one

C16H9Br2IN2O2S — CID 135515725

IUPAC5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Br)c2)SC1=Cc1cc(Br)c(O)c(I)c1
InChIInChI=1S/C16H9Br2IN2O2S/c17-9-2-1-3-10(7-9)20-16-21-15(23)13(24-16)6-8-4-11(18)14(22)12(19)5-8/h1-7,22H,(H,20,21,23)
InChIKeyMHBADCSWYVNOOM-UHFFFAOYSA-N
MW580.04 g/mol
LogP5.41
Rot. Bonds2

About 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one

5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135515725) has the molecular formula C16H9Br2IN2O2S and a molecular weight of 580.04 g/mol. Its IUPAC name is 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135515725
Molecular FormulaC16H9Br2IN2O2S
Molecular Weight580.04 g/mol
Exact Mass577.78
IUPAC Name5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Br)c2)SC1=Cc1cc(Br)c(O)c(I)c1
InChIInChI=1S/C16H9Br2IN2O2S/c17-9-2-1-3-10(7-9)20-16-21-15(23)13(24-16)6-8-4-11(18)14(22)12(19)5-8/h1-7,22H,(H,20,21,23)
InChIKeyMHBADCSWYVNOOM-UHFFFAOYSA-N
XLogP5.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.04
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-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

(5Z)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 137020158
(5Z)-2-(3-bromophenyl)imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064999
2-(3-bromophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135436073
(5E)-2-(2-bromophenyl)imino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063296
(5Z)-2-(3-bromophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137064982
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064740
5-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135523188
5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414214
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135645883
(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137020418
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137051209
(5Z)-2-(3-bromophenyl)imino-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135642613

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one (CID 135515725) is 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(Br)c2)SC1=Cc1cc(Br)c(O)c(I)c1.
What is the InChIKey of 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is MHBADCSWYVNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2IN2O2S/c17-9-2-1-3-10(7-9)20-16-21-15(23)13(24-16)6-8-4-11(18)14(22)12(19)5-8/h1-7,22H,(H,20,21,23).
What are the key properties of 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 580.04 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135515725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).