(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C21H17N3OS — CID 18841902

IUPAC(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccccn1
InChIInChI=1S/C21H17N3OS/c1-2-24-20(25)18(26-21(24)23-19-12-5-6-13-22-19)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-14H,2H2,1H3/b18-14-,23-21+
InChIKeyWARBVRMXYRULAG-VUXKIEERSA-N
MW359.45 g/mol
LogP4.86
Rot. Bonds3

About (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841902) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841902
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccccn1
InChIInChI=1S/C21H17N3OS/c1-2-24-20(25)18(26-21(24)23-19-12-5-6-13-22-19)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-14H,2H2,1H3/b18-14-,23-21+
InChIKeyWARBVRMXYRULAG-VUXKIEERSA-N
XLogP4.86
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.86
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

(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841878
(5Z)-3-ethyl-2-(3-hydroxyphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 27436477
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841839
(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841894
(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841825
2-[[(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433580
4-[[(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-hydroxybenzoic acid
CID 27430798
(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841842
(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842834
(2E,5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844299
(2E,5Z)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841758
(2E,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842792

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841902) is (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccccn1.
What is the InChIKey of (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WARBVRMXYRULAG-VUXKIEERSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-2-24-20(25)18(26-21(24)23-19-12-5-6-13-22-19)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-14H,2H2,1H3/b18-14-,23-21+.
What are the key properties of (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).