(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione

C16H10FNO4S — CID 18840156

IUPAC(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10FNO4S/c17-10-3-1-2-4-11(10)18-15(21)14(23-16(18)22)8-9-5-6-12(19)13(20)7-9/h1-8,19-20H/b14-8-
InChIKeyIMFYNKRHSDHYJE-ZSOIEALJSA-N
MW331.32 g/mol
LogP3.48
Rot. Bonds2

About (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840156) has the molecular formula C16H10FNO4S and a molecular weight of 331.32 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18840156
Molecular FormulaC16H10FNO4S
Molecular Weight331.32 g/mol
Exact Mass331.03
IUPAC Name(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10FNO4S/c17-10-3-1-2-4-11(10)18-15(21)14(23-16(18)22)8-9-5-6-12(19)13(20)7-9/h1-8,19-20H/b14-8-
InChIKeyIMFYNKRHSDHYJE-ZSOIEALJSA-N
XLogP3.48
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837183
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837461
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 126230258
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840172
5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 1231613
(5Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840672
(5Z)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126310080
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4675931
(5Z)-3-benzyl-5-[(4-fluoro-3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 170309127
4-[(E)-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2582816

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione (CID 18840156) is (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1F.
What is the InChIKey of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is IMFYNKRHSDHYJE-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10FNO4S/c17-10-3-1-2-4-11(10)18-15(21)14(23-16(18)22)8-9-5-6-12(19)13(20)7-9/h1-8,19-20H/b14-8-.
What are the key properties of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 331.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).