(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C26H24FNO3S — CID 58765653

IUPAC(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(F)c(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)S1
InChIInChI=1S/C26H24FNO3S/c27-21-10-19(18-3-1-14(2-4-18)8-22-24(30)28-25(31)32-22)9-20(23(21)29)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)/b22-8-
InChIKeyDEPMATVNMYAXHP-UYOCIXKTSA-N
MW449.55 g/mol
LogP5.99
Rot. Bonds3

About (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 58765653) has the molecular formula C26H24FNO3S and a molecular weight of 449.55 g/mol. Its IUPAC name is (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID58765653
Molecular FormulaC26H24FNO3S
Molecular Weight449.55 g/mol
Exact Mass449.15
IUPAC Name(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cc(F)c(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)S1
InChIInChI=1S/C26H24FNO3S/c27-21-10-19(18-3-1-14(2-4-18)8-22-24(30)28-25(31)32-22)9-20(23(21)29)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)/b22-8-
InChIKeyDEPMATVNMYAXHP-UYOCIXKTSA-N
XLogP5.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione 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-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25068029
3-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]-4-(dimethylamino)benzaldehyde
CID 86592371
5-[[3-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-one
CID 86592369
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25067908
5-[[3-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-2-[benzyl-[2-(dimethylamino)ethyl]amino]-1,3-thiazol-4-one
CID 72645490
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
5-[[3-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]-4-(trifluoromethoxy)phenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 72645419
(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5287855
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(5E)-5-[[3-fluoro-4-hydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87843043
(5Z)-5-[[2-[3-(1-adamantyl)-4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87899054

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 58765653) is (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cc(F)c(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DEPMATVNMYAXHP-UYOCIXKTSA-N. The full InChI is InChI=1S/C26H24FNO3S/c27-21-10-19(18-3-1-14(2-4-18)8-22-24(30)28-25(31)32-22)9-20(23(21)29)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,15-17,29H,5-7,11-13H2,(H,28,30,31)/b22-8-.
What are the key properties of (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 449.55 g/mol, XLogP of 5.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58765653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).