5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C17H13ClN2O2S — CID 135543283

IUPAC5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-8-7-11(9-13(14)18)10-15-16(21)20-17(23-15)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)
InChIKeyUVVJRRHISKYNPQ-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.24
Rot. Bonds3

About 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135543283) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135543283
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-8-7-11(9-13(14)18)10-15-16(21)20-17(23-15)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)
InChIKeyUVVJRRHISKYNPQ-UHFFFAOYSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.24
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)-5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137075264
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135761067
[2-chloro-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate
CID 137119019
(5Z)-5-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069518
(5Z)-5-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137074800
(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841224
(5E)-2-phenylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135509300
(5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135900936
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135411704
[2-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate
CID 137060780
(5E)-2-(4-bromo-2-chlorophenyl)imino-5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135696965
2-(4-bromo-2-chlorophenyl)imino-5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135431165

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135543283) is 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(C=C2S/C(=N\c3ccccc3)NC2=O)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UVVJRRHISKYNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-14-8-7-11(9-13(14)18)10-15-16(21)20-17(23-15)19-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135543283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).