(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

C23H19ClN2O2S — CID 2423413

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1cccc2ccccc12
InChIInChI=1S/C23H19ClN2O2S/c1-28-14-13-26-22(27)21(15-17-8-3-5-11-19(17)24)29-23(26)25-20-12-6-9-16-7-2-4-10-18(16)20/h2-12,15H,13-14H2,1H3/b21-15-,25-23+
InChIKeyZFGYJCPXJUHFOL-VLYZUMCXSA-N
MW422.94 g/mol
LogP5.74
Rot. Bonds5

About (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 2423413) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID2423413
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1cccc2ccccc12
InChIInChI=1S/C23H19ClN2O2S/c1-28-14-13-26-22(27)21(15-17-8-3-5-11-19(17)24)29-23(26)25-20-12-6-9-16-7-2-4-10-18(16)20/h2-12,15H,13-14H2,1H3/b21-15-,25-23+
InChIKeyZFGYJCPXJUHFOL-VLYZUMCXSA-N
XLogP5.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.74
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

5-[(2,3-dimethoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3424626
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 27003690
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17470474
3-(2-methoxyethyl)-2-phenylimino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5204943
3-(3-methoxypropyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2874966
2-[[(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433580
3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 5194412
(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290213
(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 5132180
5-[(4-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3947839
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126106746

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 2423413) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is COCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1cccc2ccccc12.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ZFGYJCPXJUHFOL-VLYZUMCXSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-28-14-13-26-22(27)21(15-17-8-3-5-11-19(17)24)29-23(26)25-20-12-6-9-16-7-2-4-10-18(16)20/h2-12,15H,13-14H2,1H3/b21-15-,25-23+.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 422.94 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2423413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).