(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C19H17NO2S — CID 18836981

IUPAC(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(N2C(=O)S/C(=C\c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H17NO2S/c1-3-14-7-9-16(10-8-14)20-18(21)17(23-19(20)22)12-15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3/b17-12-
InChIKeySLDBRGZIOPNVPV-ATVHPVEESA-N
MW323.42 g/mol
LogP4.80
Rot. Bonds3

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

(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18836981) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18836981
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(N2C(=O)S/C(=C\c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H17NO2S/c1-3-14-7-9-16(10-8-14)20-18(21)17(23-19(20)22)12-15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3/b17-12-
InChIKeySLDBRGZIOPNVPV-ATVHPVEESA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528040
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18837002
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-3-(4-ethylphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836989
(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840264
3-(4-ethylphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514540
(5Z)-3-(4-methoxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837383
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836767
(5Z)-3-(3-methylphenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836790
(5Z)-3-(4-chlorophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840509

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18836981) is (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCc1ccc(N2C(=O)S/C(=C\c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SLDBRGZIOPNVPV-ATVHPVEESA-N. The full InChI is InChI=1S/C19H17NO2S/c1-3-14-7-9-16(10-8-14)20-18(21)17(23-19(20)22)12-15-6-4-5-13(2)11-15/h4-12H,3H2,1-2H3/b17-12-.
What are the key properties of (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 323.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).