(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C23H16Cl2N2O2S — CID 137069537

IUPAC(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C23H16Cl2N2O2S/c24-17-11-16(21(19(25)13-17)29-14-15-7-3-1-4-8-15)12-20-22(28)27-23(30-20)26-18-9-5-2-6-10-18/h1-13H,14H2,(H,26,27,28)/b20-12-
InChIKeyGHBRDBHYKQZXQI-NDENLUEZSA-N
MW455.37 g/mol
LogP6.46
Rot. Bonds5

About (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 137069537) has the molecular formula C23H16Cl2N2O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID137069537
Molecular FormulaC23H16Cl2N2O2S
Molecular Weight455.37 g/mol
Exact Mass454.03
IUPAC Name(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C23H16Cl2N2O2S/c24-17-11-16(21(19(25)13-17)29-14-15-7-3-1-4-8-15)12-20-22(28)27-23(30-20)26-18-9-5-2-6-10-18/h1-13H,14H2,(H,26,27,28)/b20-12-
InChIKeyGHBRDBHYKQZXQI-NDENLUEZSA-N
XLogP6.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(4-chlorophenyl)imino-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137069579
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137069633
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137137178
(5Z)-5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137074887
(5Z)-5-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069655
(5Z)-5-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137166771
5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135496013
(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155679
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137074776
(5E)-5-[[3-chloro-5-methoxy-4-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137070954
(5Z)-2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137071708
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 137069537) is (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GHBRDBHYKQZXQI-NDENLUEZSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2S/c24-17-11-16(21(19(25)13-17)29-14-15-7-3-1-4-8-15)12-20-22(28)27-23(30-20)26-18-9-5-2-6-10-18/h1-13H,14H2,(H,26,27,28)/b20-12-.
What are the key properties of (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 455.37 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137069537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).