(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

C19H14INO5S — CID 1334389

IUPAC(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(I)c1O
InChIInChI=1S/C19H14INO5S/c1-26-15-8-11(7-13(20)17(15)23)9-16-18(24)21(19(25)27-16)10-14(22)12-5-3-2-4-6-12/h2-9,23H,10H2,1H3/b16-9-
InChIKeyZGIFPRYWWKQUTH-SXGWCWSVSA-N
MW495.29 g/mol
LogP3.92
Rot. Bonds5

About (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 1334389) has the molecular formula C19H14INO5S and a molecular weight of 495.29 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID1334389
Molecular FormulaC19H14INO5S
Molecular Weight495.29 g/mol
Exact Mass494.96
IUPAC Name(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(I)c1O
InChIInChI=1S/C19H14INO5S/c1-26-15-8-11(7-13(20)17(15)23)9-16-18(24)21(19(25)27-16)10-14(22)12-5-3-2-4-6-12/h2-9,23H,10H2,1H3/b16-9-
InChIKeyZGIFPRYWWKQUTH-SXGWCWSVSA-N
XLogP3.92
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(5E)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126233370
2-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 124665882
ethyl 2-[4-[(E)-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126225883
(5E)-3-[(2-bromophenyl)methyl]-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124667480
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126228796
(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1235596
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 2910981
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 7368541
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126230945
2-[(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 7318692
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126233181
N-(2,4-dimethylphenyl)-2-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184799

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 1334389) is (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(I)c1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ZGIFPRYWWKQUTH-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H14INO5S/c1-26-15-8-11(7-13(20)17(15)23)9-16-18(24)21(19(25)27-16)10-14(22)12-5-3-2-4-6-12/h2-9,23H,10H2,1H3/b16-9-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 495.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1334389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).