(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one

C16H11IN2OS — CID 137063495

IUPAC(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(I)cc2)S/C1=C/c1ccccc1
InChIInChI=1S/C16H11IN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-10H,(H,18,19,20)/b14-10+
InChIKeyCQTXBPOEGUXPJX-GXDHUFHOSA-N
MW406.25 g/mol
LogP4.18
Rot. Bonds2

About (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137063495) has the molecular formula C16H11IN2OS and a molecular weight of 406.25 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137063495
Molecular FormulaC16H11IN2OS
Molecular Weight406.25 g/mol
Exact Mass405.96
IUPAC Name(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(I)cc2)S/C1=C/c1ccccc1
InChIInChI=1S/C16H11IN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-10H,(H,18,19,20)/b14-10+
InChIKeyCQTXBPOEGUXPJX-GXDHUFHOSA-N
XLogP4.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5E)-5-benzylidene-2-(4-iodophenyl)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)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137065155
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
2-[4-[(E)-[2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 137062918
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(4-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136844863
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851
methyl 4-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166136
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one (CID 137063495) is (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(I)cc2)S/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CQTXBPOEGUXPJX-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H11IN2OS/c17-12-6-8-13(9-7-12)18-16-19-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-10H,(H,18,19,20)/b14-10+.
What are the key properties of (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 406.25 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137063495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).