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

C19H18ClN3O4S — CID 18843736

IUPAC(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O4S/c1-23-18(24)16(28-19(23)22-13-5-6-21-10-12(13)20)9-11-7-14(25-2)17(27-4)15(8-11)26-3/h5-10H,1-4H3/b16-9-,22-19+
InChIKeyRSDBEWWDVVNHGC-YSHZOFOISA-N
MW419.89 g/mol
LogP3.99
Rot. Bonds5

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18843736) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID18843736
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O4S/c1-23-18(24)16(28-19(23)22-13-5-6-21-10-12(13)20)9-11-7-14(25-2)17(27-4)15(8-11)26-3/h5-10H,1-4H3/b16-9-,22-19+
InChIKeyRSDBEWWDVVNHGC-YSHZOFOISA-N
XLogP3.99
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(3-chloro-4-pyridinyl)imino]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843686
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843739
4-[(Z)-[2-[(3-chloro-4-pyridinyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18843723
(5E)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 18843721
(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18844746
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843784
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18844044
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843990
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843704
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843712
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843842
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27436653

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18843736) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3ccncc3Cl)N(C)C2=O)cc(OC)c1OC.
What is the InChIKey of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RSDBEWWDVVNHGC-YSHZOFOISA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-23-18(24)16(28-19(23)22-13-5-6-21-10-12(13)20)9-11-7-14(25-2)17(27-4)15(8-11)26-3/h5-10H,1-4H3/b16-9-,22-19+.
What are the key properties of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 419.89 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).