5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C22H24N2O3S — CID 75181878

IUPAC5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\SC(=Cc2ccc(OCCCO)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15?,23-22-
InChIKeyWBYAFZQOHLFETL-YLJPZGGJSA-N
MW396.51 g/mol
LogP4.33
Rot. Bonds7

About 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 75181878) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID75181878
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\SC(=Cc2ccc(OCCCO)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15?,23-22-
InChIKeyWBYAFZQOHLFETL-YLJPZGGJSA-N
XLogP4.33
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237177
(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236931
propan-2-yl 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126193059
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237048
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5E)-3-(4-ethoxyphenyl)-5-[[4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 96874701
(2E,5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843036
(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126217784
5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 72569161
(2E,5Z)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18846082

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 75181878) is 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\SC(=Cc2ccc(OCCCO)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WBYAFZQOHLFETL-YLJPZGGJSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15?,23-22-.
What are the key properties of 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 75181878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).