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

C14H10F3NO2S — CID 162537150

IUPAC(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C\c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C14H10F3NO2S/c1-2-7-18-12(19)11(21-13(18)20)8-9-5-3-4-6-10(9)14(15,16)17/h2-6,8H,1,7H2/b11-8-
InChIKeyIUPDXNNJVLWQLH-FLIBITNWSA-N
MW313.30 g/mol
LogP3.93
Rot. Bonds3

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

(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 162537150) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID162537150
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)S/C(=C\c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C14H10F3NO2S/c1-2-7-18-12(19)11(21-13(18)20)8-9-5-3-4-6-10(9)14(15,16)17/h2-6,8H,1,7H2/b11-8-
InChIKeyIUPDXNNJVLWQLH-FLIBITNWSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2293566
3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 1325776
2-[(5E)-4-oxo-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 1207548
2-[2-[(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 4247222
2-[2-[(Z)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 6524179
(5E)-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1301236
(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126104246
(5E)-5-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126070068
5-[(1-methylpyrrol-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2938351
(5Z)-5-[[4-(4-methylphenyl)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 88888187
(5Z)-5-[(2-bromophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7032791
(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126076368

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 162537150) is (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is C=CCN1C(=O)S/C(=C\c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IUPDXNNJVLWQLH-FLIBITNWSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c1-2-7-18-12(19)11(21-13(18)20)8-9-5-3-4-6-10(9)14(15,16)17/h2-6,8H,1,7H2/b11-8-.
What are the key properties of (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 313.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-prop-2-enyl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162537150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).