(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

C20H12Cl2N2OS — CID 135603025

IUPAC(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc2ccccc12
InChIInChI=1S/C20H12Cl2N2OS/c21-15-9-4-10-16(18(15)22)23-20-24-19(25)17(26-20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H,23,24,25)/b17-11+
InChIKeyNOJVCKZURSGVNU-GZTJUZNOSA-N
MW399.30 g/mol
LogP6.04
Rot. Bonds2

About (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135603025) has the molecular formula C20H12Cl2N2OS and a molecular weight of 399.30 g/mol. Its IUPAC name is (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135603025
Molecular FormulaC20H12Cl2N2OS
Molecular Weight399.30 g/mol
Exact Mass398.00
IUPAC Name(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc2ccccc12
InChIInChI=1S/C20H12Cl2N2OS/c21-15-9-4-10-16(18(15)22)23-20-24-19(25)17(26-20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H,23,24,25)/b17-11+
InChIKeyNOJVCKZURSGVNU-GZTJUZNOSA-N
XLogP6.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135444312
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
2-[[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135594472
(5E)-5-[(1-benzylindol-3-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135512076
(5E)-5-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137050847
(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137101707
(5E)-2-(2,3-dichlorophenyl)imino-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137080033
2-[3-[(Z)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 137137149
(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135687818
(5E)-2-(2,3-dichlorophenyl)imino-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidin-4-one
CID 137080793
(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137080480

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (CID 135603025) is (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cccc2ccccc12.
What is the InChIKey of (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is NOJVCKZURSGVNU-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H12Cl2N2OS/c21-15-9-4-10-16(18(15)22)23-20-24-19(25)17(26-20)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,(H,23,24,25)/b17-11+.
What are the key properties of (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 399.30 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135603025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).