5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

C24H18Cl2N2OS — CID 5057266

IUPAC5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SC(=Cc3cccc(Cl)c3Cl)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C24H18Cl2N2OS/c1-15-6-3-9-18(12-15)27-24-28(19-10-4-7-16(2)13-19)23(29)21(30-24)14-17-8-5-11-20(25)22(17)26/h3-14H,1-2H3/b21-14?,27-24-
InChIKeyXHAKGAOJPZEEDV-FNDJROKJSA-N
MW453.39 g/mol
LogP7.42
Rot. Bonds3

About 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 5057266) has the molecular formula C24H18Cl2N2OS and a molecular weight of 453.39 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID5057266
Molecular FormulaC24H18Cl2N2OS
Molecular Weight453.39 g/mol
Exact Mass452.05
IUPAC Name5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SC(=Cc3cccc(Cl)c3Cl)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C24H18Cl2N2OS/c1-15-6-3-9-18(12-15)27-24-28(19-10-4-7-16(2)13-19)23(29)21(30-24)14-17-8-5-11-20(25)22(17)26/h3-14H,1-2H3/b21-14?,27-24-
InChIKeyXHAKGAOJPZEEDV-FNDJROKJSA-N
XLogP7.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.39
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(2-butoxyphenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6070857
(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486440
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6522051
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4113410
3-[[(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126057575
5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(3,5-dimethylphenyl)-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 3511193
5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1362614
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2262190
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
(5Z)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 44886232
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 126086706
3-(3-chloro-4-methylphenyl)-2-(3-chloro-4-methylphenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3611924

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 5057266) is 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\SC(=Cc3cccc(Cl)c3Cl)C(=O)N2c2cccc(C)c2)c1.
What is the InChIKey of 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XHAKGAOJPZEEDV-FNDJROKJSA-N. The full InChI is InChI=1S/C24H18Cl2N2OS/c1-15-6-3-9-18(12-15)27-24-28(19-10-4-7-16(2)13-19)23(29)21(30-24)14-17-8-5-11-20(25)22(17)26/h3-14H,1-2H3/b21-14?,27-24-.
What are the key properties of 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 453.39 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)methylidene]-3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).