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

C21H23N3O3S — CID 91659282

IUPAC(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESCCn1c(=O)/c(=C/c2ccc(C)cc2C)s/c1=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O3S/c1-4-24-20(26)18(12-16-6-5-14(2)11-15(16)3)28-21(24)17(13-22)19(25)23-7-9-27-10-8-23/h5-6,11-12H,4,7-10H2,1-3H3/b18-12-,21-17-
InChIKeyUXOSIRQDFIAIAX-HTAXBBIHSA-N
MW397.50 g/mol
LogP0.91
Rot. Bonds3

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

(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile (PubChem CID 91659282) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
PubChem CID91659282
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
SMILESCCn1c(=O)/c(=C/c2ccc(C)cc2C)s/c1=C(/C#N)C(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O3S/c1-4-24-20(26)18(12-16-6-5-14(2)11-15(16)3)28-21(24)17(13-22)19(25)23-7-9-27-10-8-23/h5-6,11-12H,4,7-10H2,1-3H3/b18-12-,21-17-
InChIKeyUXOSIRQDFIAIAX-HTAXBBIHSA-N
XLogP0.91
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The IUPAC name of (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) is (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is CCn1c(=O)/c(=C/c2ccc(C)cc2C)s/c1=C(/C#N)C(=O)N1CCOCC1.
What is the InChIKey of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
The InChIKey is UXOSIRQDFIAIAX-HTAXBBIHSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-24-20(26)18(12-16-6-5-14(2)11-15(16)3)28-21(24)17(13-22)19(25)23-7-9-27-10-8-23/h5-6,11-12H,4,7-10H2,1-3H3/b18-12-,21-17-.
What are the key properties of (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile?
(2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile has a molecular weight of 397.50 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is sourced from PubChem (CID 91659282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).