(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C17H13Cl2N3OS — CID 18842290

IUPAC(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C17H13Cl2N3OS/c1-2-22-16(23)15(9-12-13(18)6-3-7-14(12)19)24-17(22)21-11-5-4-8-20-10-11/h3-10H,2H2,1H3/b15-9-,21-17+
InChIKeyWERZVCPOSDLPSK-GOCJGORUSA-N
MW378.28 g/mol
LogP5.01
Rot. Bonds3

About (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842290) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842290
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C17H13Cl2N3OS/c1-2-22-16(23)15(9-12-13(18)6-3-7-14(12)19)24-17(22)21-11-5-4-8-20-10-11/h3-10H,2H2,1H3/b15-9-,21-17+
InChIKeyWERZVCPOSDLPSK-GOCJGORUSA-N
XLogP5.01
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.01
H-Bond Donors ≤ 50
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

(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842288
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842279
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842228
(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842274
3-[[(5Z)-3-ethyl-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846366
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842264
2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27430496
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435567
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843775
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843875
(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843830

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842290) is (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1cccnc1.
What is the InChIKey of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WERZVCPOSDLPSK-GOCJGORUSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-2-22-16(23)15(9-12-13(18)6-3-7-14(12)19)24-17(22)21-11-5-4-8-20-10-11/h3-10H,2H2,1H3/b15-9-,21-17+.
What are the key properties of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 378.28 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).