5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one

C19H17ClN2O3S — CID 72569161

IUPAC5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESC/N=C1\SC(=Cc2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2O3S/c1-21-19-22(14-5-3-2-4-6-14)18(24)17(26-19)12-13-7-8-16(15(20)11-13)25-10-9-23/h2-8,11-12,23H,9-10H2,1H3/b17-12?,21-19-
InChIKeyFIBMWIKZBYMXEU-IQGNXTSKSA-N
MW388.88 g/mol
LogP3.82
Rot. Bonds5

About 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one

5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 72569161) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID72569161
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESC/N=C1\SC(=Cc2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17ClN2O3S/c1-21-19-22(14-5-3-2-4-6-14)18(24)17(26-19)12-13-7-8-16(15(20)11-13)25-10-9-23/h2-8,11-12,23H,9-10H2,1H3/b17-12?,21-19-
InChIKeyFIBMWIKZBYMXEU-IQGNXTSKSA-N
XLogP3.82
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.82
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)-2-butylimino-5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 11441818
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 46238365
(5E)-5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126087091
(5Z)-5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 11751166
(5Z)-5-[[3-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237177
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one
CID 24956674
(5E)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 96895197
5-[[3-chloro-4-[(2S)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 162342648
5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 75181878
2-[2-chloro-4-[[3-(2-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 1303577
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3961772

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one (CID 72569161) is 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one is C/N=C1\SC(=Cc2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FIBMWIKZBYMXEU-IQGNXTSKSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-21-19-22(14-5-3-2-4-6-14)18(24)17(26-19)12-13-7-8-16(15(20)11-13)25-10-9-23/h2-8,11-12,23H,9-10H2,1H3/b17-12?,21-19-.
What are the key properties of 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one?
5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 388.88 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-4-(2-hydroxyethoxy)phenyl]methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 72569161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).