(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

C23H20N4O3S — CID 2398787

IUPAC(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccccn2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H20N4O3S/c24-15-19(21(28)26-10-12-30-13-11-26)23-27(16-17-6-2-1-3-7-17)22(29)20(31-23)14-18-8-4-5-9-25-18/h1-9,14H,10-13,16H2/b20-14-,23-19-
InChIKeyZMBOZILAGMCSSK-FYNIDAKTSA-N
MW432.51 g/mol
LogP0.71
Rot. Bonds4

About (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (PubChem CID 2398787) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
PubChem CID2398787
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESN#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccccn2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H20N4O3S/c24-15-19(21(28)26-10-12-30-13-11-26)23-27(16-17-6-2-1-3-7-17)22(29)20(31-23)14-18-8-4-5-9-25-18/h1-9,14H,10-13,16H2/b20-14-,23-19-
InChIKeyZMBOZILAGMCSSK-FYNIDAKTSA-N
XLogP0.71
TPSA88.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2Z)-2-[(5Z)-3-ethyl-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 17405491
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2021104
(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
2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4311206
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
CID 90828726
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
(2Z)-2-cyano-2-[(5E)-3-(4-fluorophenyl)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-morpholin-4-ylethyl)acetamide
CID 2488074
2-[5-[(3-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 3916649
2-[3-benzyl-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
CID 71902406
(2Z)-2-[(5E)-3-(furan-2-ylmethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 2554125
(2Z)-2-[(5E)-5-benzylidene-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 18209549
2-[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 4710618

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The IUPAC name of (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (CID 2398787) is (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccccn2)c(=O)n1Cc1ccccc1.
What is the InChIKey of (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The InChIKey is ZMBOZILAGMCSSK-FYNIDAKTSA-N. The full InChI is InChI=1S/C23H20N4O3S/c24-15-19(21(28)26-10-12-30-13-11-26)23-27(16-17-6-2-1-3-7-17)22(29)20(31-23)14-18-8-4-5-9-25-18/h1-9,14H,10-13,16H2/b20-14-,23-19-.
What are the key properties of (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
(2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile has a molecular weight of 432.51 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-3-benzyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is sourced from PubChem (CID 2398787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).