(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione

C18H10N2O4S — CID 26790172

IUPAC(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccccc2)C(=O)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10N2O4S/c21-15-12-8-4-5-9-13(12)16(22)19(15)20-17(23)14(25-18(20)24)10-11-6-2-1-3-7-11/h1-10H/b14-10+
InChIKeyPLKUCIGPQXHVMC-GXDHUFHOSA-N
MW350.36 g/mol
LogP2.93
Rot. Bonds2

About (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione

(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 26790172) has the molecular formula C18H10N2O4S and a molecular weight of 350.36 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
PubChem CID26790172
Molecular FormulaC18H10N2O4S
Molecular Weight350.36 g/mol
Exact Mass350.04
IUPAC Name(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccccc2)C(=O)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H10N2O4S/c21-15-12-8-4-5-9-13(12)16(22)19(15)20-17(23)14(25-18(20)24)10-11-6-2-1-3-7-11/h1-10H/b14-10+
InChIKeyPLKUCIGPQXHVMC-GXDHUFHOSA-N
XLogP2.93
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-benzylidene-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3-thiazolidine-2,4-dione
CID 3748290
(5Z)-5-benzylidene-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2173083
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylazanium
CID 3596061
5-benzylidene-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 4085356
(5Z)-5-benzylidene-3-(piperidin-1-ium-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 2243744
5-benzylidene-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2901200
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 7368541
(5Z)-3-[amino-(2-methylphenyl)methyl]-5-benzylidene-1,3-thiazolidine-2,4-dione
CID 20834546
5-benzylidene-3-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1206204
2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
CID 10623599

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione (CID 26790172) is (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccccc2)C(=O)N1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is PLKUCIGPQXHVMC-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H10N2O4S/c21-15-12-8-4-5-9-13(12)16(22)19(15)20-17(23)14(25-18(20)24)10-11-6-2-1-3-7-11/h1-10H/b14-10+.
What are the key properties of (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 350.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 26790172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).