(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C17H13ClFN3OS — CID 18843315

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C17H13ClFN3OS/c1-2-22-16(23)14(10-11-5-7-12(19)8-6-11)24-17(22)21-13-4-3-9-20-15(13)18/h3-10H,2H2,1H3/b14-10-,21-17+
InChIKeyYGLHAGSWIMOQIH-JIXLSXQHSA-N
MW361.83 g/mol
LogP4.50
Rot. Bonds3

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18843315) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID18843315
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C17H13ClFN3OS/c1-2-22-16(23)14(10-11-5-7-12(19)8-6-11)24-17(22)21-13-4-3-9-20-15(13)18/h3-10H,2H2,1H3/b14-10-,21-17+
InChIKeyYGLHAGSWIMOQIH-JIXLSXQHSA-N
XLogP4.50
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843830
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 18843286
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843211
(5E)-3-ethyl-2-(2-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485732
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126253124
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126244957
(5E)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
CID 129431536
(2Z,5E)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
CID 92904098
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486108
(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842288
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843653

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 18843315) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccnc1Cl.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YGLHAGSWIMOQIH-JIXLSXQHSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-2-22-16(23)14(10-11-5-7-12(19)8-6-11)24-17(22)21-13-4-3-9-20-15(13)18/h3-10H,2H2,1H3/b14-10-,21-17+.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 361.83 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).