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

C20H19ClN2O2S — CID 126063274

IUPAC(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C20H19ClN2O2S/c1-3-22(4-2)15-11-9-14(10-12-15)13-18-19(24)23(20(25)26-18)17-8-6-5-7-16(17)21/h5-13H,3-4H2,1-2H3/b18-13-
InChIKeyFACFAUYIUXZPFV-AQTBWJFISA-N
MW386.90 g/mol
LogP5.43
Rot. Bonds5

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

(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126063274) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126063274
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C20H19ClN2O2S/c1-3-22(4-2)15-11-9-14(10-12-15)13-18-19(24)23(20(25)26-18)17-8-6-5-7-16(17)21/h5-13H,3-4H2,1-2H3/b18-13-
InChIKeyFACFAUYIUXZPFV-AQTBWJFISA-N
XLogP5.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
methyl 4-[(Z)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1311597
2-[4-[(E)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27411394
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 16633155
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1290511
(5Z)-3-(2-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126063552
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126062209
2-[3-[(E)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862283
(5Z)-3-(2-chlorophenyl)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126064426
5-[[4-(diethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2906289
(5Z)-3-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837510

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126063274) is (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FACFAUYIUXZPFV-AQTBWJFISA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-3-22(4-2)15-11-9-14(10-12-15)13-18-19(24)23(20(25)26-18)17-8-6-5-7-16(17)21/h5-13H,3-4H2,1-2H3/b18-13-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 386.90 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126063274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).