5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C28H21ClN2O2S — CID 135533915

IUPAC5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc34)S2)cc1
InChIInChI=1S/C28H21ClN2O2S/c1-18-10-13-21(14-11-18)30-28-31-27(32)26(34-28)16-23-22-8-4-2-6-19(22)12-15-25(23)33-17-20-7-3-5-9-24(20)29/h2-16H,17H2,1H3,(H,30,31,32)
InChIKeyGODHWSPCCPTEQD-UHFFFAOYSA-N
MW485.01 g/mol
LogP7.27
Rot. Bonds5

About 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135533915) has the molecular formula C28H21ClN2O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135533915
Molecular FormulaC28H21ClN2O2S
Molecular Weight485.01 g/mol
Exact Mass484.10
IUPAC Name5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc34)S2)cc1
InChIInChI=1S/C28H21ClN2O2S/c1-18-10-13-21(14-11-18)30-28-31-27(32)26(34-28)16-23-22-8-4-2-6-19(22)12-15-25(23)33-17-20-7-3-5-9-24(20)29/h2-16H,17H2,1H3,(H,30,31,32)
InChIKeyGODHWSPCCPTEQD-UHFFFAOYSA-N
XLogP7.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 57.27
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

(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403838
(5Z)-5-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137018066
(5Z)-5-[[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137074500
[1-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 137043980
(5E)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137080469
(5Z)-2-(3,4-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 135619467
5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135398991
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135844350
(5E)-2-(4-fluorophenyl)imino-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137080362
(5Z)-5-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069518
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 135776721
(5E)-5-[[3-chloro-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137050327

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135533915) is 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)C(=Cc3c(OCc4ccccc4Cl)ccc4ccccc34)S2)cc1.
What is the InChIKey of 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is GODHWSPCCPTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2S/c1-18-10-13-21(14-11-18)30-28-31-27(32)26(34-28)16-23-22-8-4-2-6-19(22)12-15-25(23)33-17-20-7-3-5-9-24(20)29/h2-16H,17H2,1H3,(H,30,31,32).
What are the key properties of 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 485.01 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).