(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C22H24F3N7O4S — CID 58795851

IUPAC(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCOCC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H24F3N7O4S/c1-2-32-20(35)15(37-21(32)14(10-26)19(34)28-13-22(23,24)25)11-27-16-4-3-5-17(29-16)30-18(33)12-31-6-8-36-9-7-31/h3-5,11H,2,6-9,12-13H2,1H3,(H,28,34)(H2,27,29,30,33)/b15-11+,21-14-
InChIKeyGSGSGFZCFPVBDG-GABASWGZSA-N
MW539.54 g/mol
LogP-0.20
Rot. Bonds8

About (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795851) has the molecular formula C22H24F3N7O4S and a molecular weight of 539.54 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]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-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58795851
Molecular FormulaC22H24F3N7O4S
Molecular Weight539.54 g/mol
Exact Mass539.16
IUPAC Name(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCOCC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H24F3N7O4S/c1-2-32-20(35)15(37-21(32)14(10-26)19(34)28-13-22(23,24)25)11-27-16-4-3-5-17(29-16)30-18(33)12-31-6-8-36-9-7-31/h3-5,11H,2,6-9,12-13H2,1H3,(H,28,34)(H2,27,29,30,33)/b15-11+,21-14-
InChIKeyGSGSGFZCFPVBDG-GABASWGZSA-N
XLogP-0.20
TPSA141.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.54
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]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-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 58795851) is (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]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-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]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-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN3CCOCC3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GSGSGFZCFPVBDG-GABASWGZSA-N. The full InChI is InChI=1S/C22H24F3N7O4S/c1-2-32-20(35)15(37-21(32)14(10-26)19(34)28-13-22(23,24)25)11-27-16-4-3-5-17(29-16)30-18(33)12-31-6-8-36-9-7-31/h3-5,11H,2,6-9,12-13H2,1H3,(H,28,34)(H2,27,29,30,33)/b15-11+,21-14-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?
(2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 539.54 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[[[6-[(2-morpholin-4-ylacetyl)amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).