(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C20H18ClN3O2S — CID 137085874

IUPAC(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18ClN3O2S/c21-15-2-1-3-16(13-15)22-20-23-19(25)18(27-20)12-14-4-6-17(7-5-14)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H,22,23,25)/b18-12-
InChIKeyNPLOLIOKFQFNRH-PDGQHHTCSA-N
MW399.90 g/mol
LogP4.07
Rot. Bonds3

About (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137085874) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137085874
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18ClN3O2S/c21-15-2-1-3-16(13-15)22-20-23-19(25)18(27-20)12-14-4-6-17(7-5-14)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H,22,23,25)/b18-12-
InChIKeyNPLOLIOKFQFNRH-PDGQHHTCSA-N
XLogP4.07
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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)-2-(3-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137079997
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841214
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
(5E)-2-(3-chlorophenyl)imino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062898
(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
CID 136961387
(5E)-2-(4-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135642697
(5Z)-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135921879
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155951
4-chloro-N-[(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131074
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062838
(5E)-2-(3-chlorophenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535295
5-[[(5Z)-5-[(3-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834610

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137085874) is (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NPLOLIOKFQFNRH-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c21-15-2-1-3-16(13-15)22-20-23-19(25)18(27-20)12-14-4-6-17(7-5-14)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H,22,23,25)/b18-12-.
What are the key properties of (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 399.90 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137085874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).