(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one

C21H22ClN3O2S — CID 162674184

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one
SMILESCN1CCCC(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)C1
InChIInChI=1S/C21H22ClN3O2S/c1-25-9-3-4-14(13-25)12-23-21-24-20(26)19(28-21)11-17-7-8-18(27-17)15-5-2-6-16(22)10-15/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3,(H,23,24,26)/b19-11-
InChIKeyRGPZEVYDKJKFNL-ODLFYWEKSA-N
MW415.95 g/mol
LogP4.50
Rot. Bonds4

About (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one (PubChem CID 162674184) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one
PubChem CID162674184
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one
SMILESCN1CCCC(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)C1
InChIInChI=1S/C21H22ClN3O2S/c1-25-9-3-4-14(13-25)12-23-21-24-20(26)19(28-21)11-17-7-8-18(27-17)15-5-2-6-16(22)10-15/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3,(H,23,24,26)/b19-11-
InChIKeyRGPZEVYDKJKFNL-ODLFYWEKSA-N
XLogP4.50
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1129060
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777683
(5E)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 155541927
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(4-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 162650137
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[2-(4-hydroxyphenyl)ethylimino]-1,3-thiazolidin-4-one
CID 162650968
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(oxolan-3-ylimino)-1,3-thiazolidin-4-one
CID 162656579
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxypropylimino)-1,3-thiazolidin-4-one
CID 162657973
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1S,2S)-2-hydroxycyclopentyl]imino-1,3-thiazolidin-4-one
CID 162658338
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-4-yl)methylimino]-1,3-thiazolidin-4-one
CID 162663755
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(3-hydroxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 162663971
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-cyclopropylimino-1,3-thiazolidin-4-one
CID 162669692
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
CID 162670948

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one (CID 162674184) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one is CN1CCCC(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)C1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one?
The InChIKey is RGPZEVYDKJKFNL-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-25-9-3-4-14(13-25)12-23-21-24-20(26)19(28-21)11-17-7-8-18(27-17)15-5-2-6-16(22)10-15/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3,(H,23,24,26)/b19-11-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one has a molecular weight of 415.95 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[(1-methylpiperidin-3-yl)methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162674184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).