(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

C23H18Cl2N2O2S — CID 6533417

IUPAC(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S/C1=N/c1ccccc1
InChIInChI=1S/C23H18Cl2N2O2S/c1-2-13-27-22(28)20(30-23(27)26-15-7-4-3-5-8-15)14-16-11-12-19(29-16)17-9-6-10-18(24)21(17)25/h3-12,14H,2,13H2,1H3/b20-14-,26-23+
InChIKeyHCBHZDCRNVRCEB-URWIEHKQSA-N
MW457.38 g/mol
LogP7.27
Rot. Bonds5

About (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one (PubChem CID 6533417) has the molecular formula C23H18Cl2N2O2S and a molecular weight of 457.38 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
PubChem CID6533417
Molecular FormulaC23H18Cl2N2O2S
Molecular Weight457.38 g/mol
Exact Mass456.05
IUPAC Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S/C1=N/c1ccccc1
InChIInChI=1S/C23H18Cl2N2O2S/c1-2-13-27-22(28)20(30-23(27)26-15-7-4-3-5-8-15)14-16-11-12-19(29-16)17-9-6-10-18(24)21(17)25/h3-12,14H,2,13H2,1H3/b20-14-,26-23+
InChIKeyHCBHZDCRNVRCEB-URWIEHKQSA-N
XLogP7.27
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6207969
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
CID 126218535
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135451147
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
2-[5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3099532
(5E)-3-benzyl-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126165556
(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126092789
3-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 21228050
2-chloro-4-[5-[[3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4046447
6-[5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 3444181
4-[[5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4765807
4-[5-[(Z)-[3-(2-methylsulfanylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 177372469

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one (CID 6533417) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is HCBHZDCRNVRCEB-URWIEHKQSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2S/c1-2-13-27-22(28)20(30-23(27)26-15-7-4-3-5-8-15)14-16-11-12-19(29-16)17-9-6-10-18(24)21(17)25/h3-12,14H,2,13H2,1H3/b20-14-,26-23+.
What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 457.38 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6533417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).