(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one

C19H19ClN2O3S — CID 162676645

IUPAC(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)(CO)C/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1
InChIInChI=1S/C19H19ClN2O3S/c1-19(2,11-23)10-21-18-22-17(24)16(26-18)9-14-6-7-15(25-14)12-4-3-5-13(20)8-12/h3-9,23H,10-11H2,1-2H3,(H,21,22,24)/b16-9-
InChIKeySJBKFRCZYQOJIT-SXGWCWSVSA-N
MW390.89 g/mol
LogP4.18
Rot. Bonds5

About (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one (PubChem CID 162676645) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one
PubChem CID162676645
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)(CO)C/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1
InChIInChI=1S/C19H19ClN2O3S/c1-19(2,11-23)10-21-18-22-17(24)16(26-18)9-14-6-7-15(25-14)12-4-3-5-13(20)8-12/h3-9,23H,10-11H2,1-2H3,(H,21,22,24)/b16-9-
InChIKeySJBKFRCZYQOJIT-SXGWCWSVSA-N
XLogP4.18
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.18
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one (CID 162676645) is (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one is CC(C)(CO)C/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SJBKFRCZYQOJIT-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-19(2,11-23)10-21-18-22-17(24)16(26-18)9-14-6-7-15(25-14)12-4-3-5-13(20)8-12/h3-9,23H,10-11H2,1-2H3,(H,21,22,24)/b16-9-.
What are the key properties of (5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 390.89 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 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-(3-hydroxy-2,2-dimethylpropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 162676645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).