(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C27H18Cl2N2O2S — CID 137101707

IUPAC(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H18Cl2N2O2S/c28-22-9-4-10-23(25(22)29)30-27-31-26(32)24(34-27)15-17-11-13-20(14-12-17)33-16-19-7-3-6-18-5-1-2-8-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-
InChIKeyUAIKNRYNPUFNMJ-IWIPYMOSSA-N
MW505.43 g/mol
LogP7.62
Rot. Bonds5

About (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137101707) has the molecular formula C27H18Cl2N2O2S and a molecular weight of 505.43 g/mol. Its IUPAC name is (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137101707
Molecular FormulaC27H18Cl2N2O2S
Molecular Weight505.43 g/mol
Exact Mass504.05
IUPAC Name(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H18Cl2N2O2S/c28-22-9-4-10-23(25(22)29)30-27-31-26(32)24(34-27)15-17-11-13-20(14-12-17)33-16-19-7-3-6-18-5-1-2-8-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-
InChIKeyUAIKNRYNPUFNMJ-IWIPYMOSSA-N
XLogP7.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.43
LogP ≤ 57.62
H-Bond Donors ≤ 51
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

(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062950
(5E)-2-(2,3-dichlorophenyl)imino-5-[[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080951
(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137107984
(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137063072
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135603025
(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136782278
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
2-[[2,6-dibromo-4-[[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 135463942
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135708558
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844247
2-[[2-bromo-4-[(Z)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 136715234

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137101707) is (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UAIKNRYNPUFNMJ-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H18Cl2N2O2S/c28-22-9-4-10-23(25(22)29)30-27-31-26(32)24(34-27)15-17-11-13-20(14-12-17)33-16-19-7-3-6-18-5-1-2-8-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-.
What are the key properties of (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 505.43 g/mol, XLogP of 7.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137101707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).