(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C22H17N3O2S — CID 118548188

IUPAC(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)nc1
InChIInChI=1S/C22H17N3O2S/c1-27-19-13-12-17(23-15-19)14-20-21(26)25(18-10-6-3-7-11-18)22(28-20)24-16-8-4-2-5-9-16/h2-15H,1H3/b20-14-,24-22-
InChIKeyLGYZEZADICSTJX-NJMAKWBESA-N
MW387.46 g/mol
LogP4.90
Rot. Bonds4

About (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 118548188) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID118548188
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)nc1
InChIInChI=1S/C22H17N3O2S/c1-27-19-13-12-17(23-15-19)14-20-21(26)25(18-10-6-3-7-11-18)22(28-20)24-16-8-4-2-5-9-16/h2-15H,1H3/b20-14-,24-22-
InChIKeyLGYZEZADICSTJX-NJMAKWBESA-N
XLogP4.90
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5Z)-5-[[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 50856451
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4016327
5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3453388
(5Z)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5287093
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 22305747
propan-2-yl 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126193059
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2262168
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
CID 102361310
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 118548188) is (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)nc1.
What is the InChIKey of (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is LGYZEZADICSTJX-NJMAKWBESA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-27-19-13-12-17(23-15-19)14-20-21(26)25(18-10-6-3-7-11-18)22(28-20)24-16-8-4-2-5-9-16/h2-15H,1H3/b20-14-,24-22-.
What are the key properties of (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 387.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 118548188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).