(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C16H15N3OS2 — CID 18842792

IUPAC(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1cccc(C)n1
InChIInChI=1S/C16H15N3OS2/c1-3-19-15(20)13(10-12-7-5-9-21-12)22-16(19)18-14-8-4-6-11(2)17-14/h4-10H,3H2,1-2H3/b13-10+,18-16+
InChIKeyOEZVAKJTEPQTIV-JODANDAUSA-N
MW329.45 g/mol
LogP4.08
Rot. Bonds3

About (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 18842792) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID18842792
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1cccc(C)n1
InChIInChI=1S/C16H15N3OS2/c1-3-19-15(20)13(10-12-7-5-9-21-12)22-16(19)18-14-8-4-6-11(2)17-14/h4-10H,3H2,1-2H3/b13-10+,18-16+
InChIKeyOEZVAKJTEPQTIV-JODANDAUSA-N
XLogP4.08
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.08
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

(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842834
(2E,5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842778
methyl 3-[[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3584077
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842853
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5E)-3-ethyl-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842784
(2E,5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842771
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842695
(2E,5Z)-3-ethyl-5-[1-(4-methoxyphenyl)ethylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842835
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842861
2-[(3Z)-3-[(2E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 18842817
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842816

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 18842792) is (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1cccc(C)n1.
What is the InChIKey of (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OEZVAKJTEPQTIV-JODANDAUSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-3-19-15(20)13(10-12-7-5-9-21-12)22-16(19)18-14-8-4-6-11(2)17-14/h4-10H,3H2,1-2H3/b13-10+,18-16+.
What are the key properties of (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 329.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).