(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one

C19H15ClN2O2S — CID 46236270

IUPAC(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-10-12(6-9-16(15)23)11-17-18(24)22(14-4-2-1-3-5-14)19(25-17)21-13-7-8-13/h1-6,9-11,13,23H,7-8H2/b17-11-,21-19-
InChIKeyXEUNHCXIWCSNRI-WQZDFCHPSA-N
MW370.86 g/mol
LogP4.68
Rot. Bonds3

About (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 46236270) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID46236270
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1
InChIInChI=1S/C19H15ClN2O2S/c20-15-10-12(6-9-16(15)23)11-17-18(24)22(14-4-2-1-3-5-14)19(25-17)21-13-7-8-13/h1-6,9-11,13,23H,7-8H2/b17-11-,21-19-
InChIKeyXEUNHCXIWCSNRI-WQZDFCHPSA-N
XLogP4.68
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 24956673
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-phenyl-2-propylimino-thiazolidin-4-one
CID 24956674
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-o-tolyl-thiazolidin-4-one
CID 24956675
(Z,Z)-2-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 24956676
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chloro-phenyl)-2-isopropyliminothiazolidin-4-one
CID 24957028
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propylimino-3-o-tolyl-thiazolidin-4-one
CID 24957029
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
rac-(Z,Z)-2-sec-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenylthiazolidin-4-one
CID 46236268
(Z,Z)-2-tert-Butylimino-5-(3-chloro-4-hydroxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236269
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclobutylimino-3-phenyl-thiazolidin-4-one
CID 46236271
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclopentylimino-3-phenyl-thiazolidin-4-one
CID 46236272
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclohexylimino-3-phenyl-thiazolidin-4-one
CID 46236273

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one (CID 46236270) is (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XEUNHCXIWCSNRI-WQZDFCHPSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-10-12(6-9-16(15)23)11-17-18(24)22(14-4-2-1-3-5-14)19(25-17)21-13-7-8-13/h1-6,9-11,13,23H,7-8H2/b17-11-,21-19-.
What are the key properties of (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 370.86 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).