(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C22H25F2N5O3S — CID 89377332

IUPAC(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCn1c(=O)c(=C=CNc2ccc(OCCN(C)C)cc2)s/c1=C(/C#N)C(=O)NCC(F)F
InChIInChI=1S/C22H25F2N5O3S/c1-4-29-21(31)18(33-22(29)17(13-25)20(30)27-14-19(23)24)9-10-26-15-5-7-16(8-6-15)32-12-11-28(2)3/h5-8,10,19,26H,4,11-12,14H2,1-3H3,(H,27,30)/b22-17-
InChIKeyRRZKQRRVMMHGGR-XLNRJJMWSA-N
MW477.54 g/mol
LogP0.93
Rot. Bonds10

About (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 89377332) has the molecular formula C22H25F2N5O3S and a molecular weight of 477.54 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID89377332
Molecular FormulaC22H25F2N5O3S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCn1c(=O)c(=C=CNc2ccc(OCCN(C)C)cc2)s/c1=C(/C#N)C(=O)NCC(F)F
InChIInChI=1S/C22H25F2N5O3S/c1-4-29-21(31)18(33-22(29)17(13-25)20(30)27-14-19(23)24)9-10-26-15-5-7-16(8-6-15)32-12-11-28(2)3/h5-8,10,19,26H,4,11-12,14H2,1-3H3,(H,27,30)/b22-17-
InChIKeyRRZKQRRVMMHGGR-XLNRJJMWSA-N
XLogP0.93
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 89377332) is (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCn1c(=O)c(=C=CNc2ccc(OCCN(C)C)cc2)s/c1=C(/C#N)C(=O)NCC(F)F.
What is the InChIKey of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is RRZKQRRVMMHGGR-XLNRJJMWSA-N. The full InChI is InChI=1S/C22H25F2N5O3S/c1-4-29-21(31)18(33-22(29)17(13-25)20(30)27-14-19(23)24)9-10-26-15-5-7-16(8-6-15)32-12-11-28(2)3/h5-8,10,19,26H,4,11-12,14H2,1-3H3,(H,27,30)/b22-17-.
What are the key properties of (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 477.54 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-(2,2-difluoroethyl)-2-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]ethenylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 89377332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).