(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H17N3O2S — CID 18842220

IUPAC(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C(C)=C2\S/C(=N/c3cccnc3)N(C)C2=O)c1
InChIInChI=1S/C18H17N3O2S/c1-12(13-6-4-8-15(10-13)23-3)16-17(22)21(2)18(24-16)20-14-7-5-9-19-11-14/h4-11H,1-3H3/b16-12-,20-18+
InChIKeyYOTSGUNSKXWBPC-SWTGTHOSSA-N
MW339.42 g/mol
LogP3.71
Rot. Bonds3

About (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842220) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842220
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C(C)=C2\S/C(=N/c3cccnc3)N(C)C2=O)c1
InChIInChI=1S/C18H17N3O2S/c1-12(13-6-4-8-15(10-13)23-3)16-17(22)21(2)18(24-16)20-14-7-5-9-19-11-14/h4-11H,1-3H3/b16-12-,20-18+
InChIKeyYOTSGUNSKXWBPC-SWTGTHOSSA-N
XLogP3.71
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844074
3-[[(5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846278
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836794
(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 18840482
(5Z)-5-[1-(3-aminophenyl)ethylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837360
(5E)-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842176
(5Z)-2-(3-hydroxyphenyl)imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 27409064
2-[5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 4515343
2-[(5E)-5-[1-(3-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
CID 7655660
3-[[5-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 1229013
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842228
(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 27409005

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842220) is (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is COc1cccc(/C(C)=C2\S/C(=N/c3cccnc3)N(C)C2=O)c1.
What is the InChIKey of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is YOTSGUNSKXWBPC-SWTGTHOSSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(13-6-4-8-15(10-13)23-3)16-17(22)21(2)18(24-16)20-14-7-5-9-19-11-14/h4-11H,1-3H3/b16-12-,20-18+.
What are the key properties of (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).