(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F4N6O3S — CID 58795876

IUPAC(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)CC3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C24H26F4N6O3S/c1-2-34-22(37)19(38-23(34)18(11-29)21(36)31-14-24(26,27)28)12-30-16-4-3-5-17(10-16)32-20(35)13-33-8-6-15(25)7-9-33/h3-5,10,12,15,30H,2,6-9,13-14H2,1H3,(H,31,36)(H,32,35)/b19-12+,23-18-
InChIKeyGVBLKUVSCPBRHK-NOVASTHGSA-N
MW554.57 g/mol
LogP1.50
Rot. Bonds8

About (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795876) has the molecular formula C24H26F4N6O3S and a molecular weight of 554.57 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58795876
Molecular FormulaC24H26F4N6O3S
Molecular Weight554.57 g/mol
Exact Mass554.17
IUPAC Name(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)CC3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C24H26F4N6O3S/c1-2-34-22(37)19(38-23(34)18(11-29)21(36)31-14-24(26,27)28)12-30-16-4-3-5-17(10-16)32-20(35)13-33-8-6-15(25)7-9-33/h3-5,10,12,15,30H,2,6-9,13-14H2,1H3,(H,31,36)(H,32,35)/b19-12+,23-18-
InChIKeyGVBLKUVSCPBRHK-NOVASTHGSA-N
XLogP1.50
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.57
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795876) is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCC(F)CC3)c2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GVBLKUVSCPBRHK-NOVASTHGSA-N. The full InChI is InChI=1S/C24H26F4N6O3S/c1-2-34-22(37)19(38-23(34)18(11-29)21(36)31-14-24(26,27)28)12-30-16-4-3-5-17(10-16)32-20(35)13-33-8-6-15(25)7-9-33/h3-5,10,12,15,30H,2,6-9,13-14H2,1H3,(H,31,36)(H,32,35)/b19-12+,23-18-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 554.57 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[3-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).