(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione

C10H6INO2S — CID 2243788

IUPAC(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2I)S1
InChIInChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+
InChIKeyLPHYTWZUFKIWES-VMPITWQZSA-N
MW331.13 g/mol
LogP2.62
Rot. Bonds1

About (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2243788) has the molecular formula C10H6INO2S and a molecular weight of 331.13 g/mol. Its IUPAC name is (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2243788
Molecular FormulaC10H6INO2S
Molecular Weight331.13 g/mol
Exact Mass330.92
IUPAC Name(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2I)S1
InChIInChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+
InChIKeyLPHYTWZUFKIWES-VMPITWQZSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731
(2Z,5Z)-5-[(2-iodophenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136772662
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
(5E)-5-(1-benzofuran-7-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 87217342
(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705
5-[(3-chloro-2-piperazin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 76782327
5-[[2-(3-aminopyrrolidin-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 173069432
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91690869
(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87385706

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2243788) is (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccccc2I)S1.
What is the InChIKey of (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LPHYTWZUFKIWES-VMPITWQZSA-N. The full InChI is InChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5+.
What are the key properties of (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 331.13 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2243788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).