(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

C21H23N3O3S — CID 17405491

IUPAC(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESCCc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-15-5-7-16(8-6-15)13-18-20(26)24(4-2)21(28-18)17(14-22)19(25)23-9-11-27-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3/b18-13-,21-17-
InChIKeyZJIJRVQSFVETQZ-FEGWUIOZSA-N
MW397.50 g/mol
LogP0.85
Rot. Bonds4

About (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (PubChem CID 17405491) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
PubChem CID17405491
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESCCc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-15-5-7-16(8-6-15)13-18-20(26)24(4-2)21(28-18)17(14-22)19(25)23-9-11-27-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3/b18-13-,21-17-
InChIKeyZJIJRVQSFVETQZ-FEGWUIOZSA-N
XLogP0.85
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile with MolForge

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Related Compounds

(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 91659282
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2021104
(2Z)-2-[(5E)-5-benzylidene-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 18209549
(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2398787
(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58794475
2-[5-[(3-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 3916649
(2E)-2-[(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2374780
2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4311206
(2E)-2-[(5Z)-3-ethyl-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2374837
2-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4969056
2-[3-(1,3-benzodioxol-5-ylmethyl)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 4213390
(2Z)-2-[(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-(4-ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 6523751

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The IUPAC name of (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (CID 17405491) is (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is CCc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(CC)c2=O)cc1.
What is the InChIKey of (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The InChIKey is ZJIJRVQSFVETQZ-FEGWUIOZSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-15-5-7-16(8-6-15)13-18-20(26)24(4-2)21(28-18)17(14-22)19(25)23-9-11-27-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3/b18-13-,21-17-.
What are the key properties of (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile has a molecular weight of 397.50 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is sourced from PubChem (CID 17405491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).