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

C17H12ClNO2S — CID 1355881

IUPAC5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(=Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H12ClNO2S/c1-11-6-8-13(9-7-11)19-16(20)15(22-17(19)21)10-12-4-2-3-5-14(12)18/h2-10H,1H3
InChIKeyFOJYMYWMWRVCDK-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.89
Rot. Bonds2

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

5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1355881) has the molecular formula C17H12ClNO2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID1355881
Molecular FormulaC17H12ClNO2S
Molecular Weight329.81 g/mol
Exact Mass329.03
IUPAC Name5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(=Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H12ClNO2S/c1-11-6-8-13(9-7-11)19-16(20)15(22-17(19)21)10-12-4-2-3-5-14(12)18/h2-10H,1H3
InChIKeyFOJYMYWMWRVCDK-UHFFFAOYSA-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

5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2867676
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
2-[(E)-[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 27409687
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2262190
5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1362614
(5Z)-3-(3,4-dichlorophenyl)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840885
(5Z)-3-(4-methylphenyl)-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836861
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5Z)-5-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 126146350
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 1355881) is 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)SC(=Cc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FOJYMYWMWRVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2S/c1-11-6-8-13(9-7-11)19-16(20)15(22-17(19)21)10-12-4-2-3-5-14(12)18/h2-10H,1H3.
What are the key properties of 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-[(2-chlorophenyl)methylidene]-3-(4-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 5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1355881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).