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

C17H10F3NO3S — CID 18840568

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2O)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-3-6-12(9-11)21-15(23)14(25-16(21)24)8-10-4-1-2-7-13(10)22/h1-9,22H/b14-8-
InChIKeyHMJZJIDCHHEPFU-ZSOIEALJSA-N
MW365.33 g/mol
LogP4.65
Rot. Bonds2

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

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 18840568) has the molecular formula C17H10F3NO3S and a molecular weight of 365.33 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID18840568
Molecular FormulaC17H10F3NO3S
Molecular Weight365.33 g/mol
Exact Mass365.03
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2O)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-3-6-12(9-11)21-15(23)14(25-16(21)24)8-10-4-1-2-7-13(10)22/h1-9,22H/b14-8-
InChIKeyHMJZJIDCHHEPFU-ZSOIEALJSA-N
XLogP4.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
2-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 2265552
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2046483
2-chloro-5-[3-[(Z)-[2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 46853016
3-[(5E)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 2408325
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17384678
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 28922645
2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 2132887
5-[(2,3-dihydroxyphenyl)methylidene]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 74019929
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 6513598
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 18840611
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633532

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (CID 18840568) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2O)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HMJZJIDCHHEPFU-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-3-6-12(9-11)21-15(23)14(25-16(21)24)8-10-4-1-2-7-13(10)22/h1-9,22H/b14-8-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 365.33 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).