(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C22H22FN3O2S — CID 137136713

IUPAC(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(N2CCCCC2)ccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O
InChIInChI=1S/C22H22FN3O2S/c1-28-19-14-18(26-11-3-2-4-12-26)10-5-15(19)13-20-21(27)25-22(29-20)24-17-8-6-16(23)7-9-17/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,25,27)/b20-13-
InChIKeyOHFZVMRIJJLBNX-MOSHPQCFSA-N
MW411.50 g/mol
LogP4.72
Rot. Bonds4

About (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137136713) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137136713
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(N2CCCCC2)ccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O
InChIInChI=1S/C22H22FN3O2S/c1-28-19-14-18(26-11-3-2-4-12-26)10-5-15(19)13-20-21(27)25-22(29-20)24-17-8-6-16(23)7-9-17/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,25,27)/b20-13-
InChIKeyOHFZVMRIJJLBNX-MOSHPQCFSA-N
XLogP4.72
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135627839
2-(4-fluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135474947
(5E)-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135618928
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126241866
(5Z)-2-(4-fluorophenyl)imino-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135904986
(5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137034607
(5Z)-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126238133
(5Z)-2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135529565
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500973
(5Z)-2-(4-fluorophenyl)imino-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137076549
(5E)-2-(4-methoxyphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135435583

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137136713) is (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(N2CCCCC2)ccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O.
What is the InChIKey of (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OHFZVMRIJJLBNX-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-28-19-14-18(26-11-3-2-4-12-26)10-5-15(19)13-20-21(27)25-22(29-20)24-17-8-6-16(23)7-9-17/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,25,27)/b20-13-.
What are the key properties of (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 411.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-fluorophenyl)imino-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137136713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).