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

C17H12ClNO2S — CID 7559354

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccccc2Cl)C1=O
InChIInChI=1S/C17H12ClNO2S/c1-11-6-2-5-9-14(11)19-16(20)15(22-17(19)21)10-12-7-3-4-8-13(12)18/h2-10H,1H3/b15-10-
InChIKeyWHUYLAWGUWWFNO-GDNBJRDFSA-N
MW329.81 g/mol
LogP4.89
Rot. Bonds2

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

(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 7559354) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID7559354
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\c2ccccc2Cl)C1=O
InChIInChI=1S/C17H12ClNO2S/c1-11-6-2-5-9-14(11)19-16(20)15(22-17(19)21)10-12-7-3-4-8-13(12)18/h2-10H,1H3/b15-10-
InChIKeyWHUYLAWGUWWFNO-GDNBJRDFSA-N
XLogP4.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.89
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-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836720
5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1355881
(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836677
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,3-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839798
5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2867676
(5E)-3-(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836679
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
(5Z)-3-(2-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126063558
(5Z)-3-(2,5-dimethylphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839947
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18840004
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836936

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 7559354) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)S/C(=C\c2ccccc2Cl)C1=O.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WHUYLAWGUWWFNO-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c1-11-6-2-5-9-14(11)19-16(20)15(22-17(19)21)10-12-7-3-4-8-13(12)18/h2-10H,1H3/b15-10-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 329.81 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7559354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).