(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide

C22H26F2N6O2S — CID 58795915

IUPAC(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C(F)(F)CN3CCCC3)n2)c(=O)n1CC
InChIInChI=1S/C22H26F2N6O2S/c1-3-26-19(31)15(12-25)21-30(4-2)20(32)16(33-21)13-27-18-9-7-8-17(28-18)22(23,24)14-29-10-5-6-11-29/h7-9,13H,3-6,10-11,14H2,1-2H3,(H,26,31)(H,27,28)/b16-13+,21-15-
InChIKeyWJEPVMUARTXTFH-WLWZMOCUSA-N
MW476.55 g/mol
LogP1.17
Rot. Bonds8

About (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide

(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide (PubChem CID 58795915) has the molecular formula C22H26F2N6O2S and a molecular weight of 476.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide
PubChem CID58795915
Molecular FormulaC22H26F2N6O2S
Molecular Weight476.55 g/mol
Exact Mass476.18
IUPAC Name(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide
SMILESCCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C(F)(F)CN3CCCC3)n2)c(=O)n1CC
InChIInChI=1S/C22H26F2N6O2S/c1-3-26-19(31)15(12-25)21-30(4-2)20(32)16(33-21)13-27-18-9-7-8-17(28-18)22(23,24)14-29-10-5-6-11-29/h7-9,13H,3-6,10-11,14H2,1-2H3,(H,26,31)(H,27,28)/b16-13+,21-15-
InChIKeyWJEPVMUARTXTFH-WLWZMOCUSA-N
XLogP1.17
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide 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)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide (CID 58795915) is (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide is CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C(F)(F)CN3CCCC3)n2)c(=O)n1CC.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide?
The InChIKey is WJEPVMUARTXTFH-WLWZMOCUSA-N. The full InChI is InChI=1S/C22H26F2N6O2S/c1-3-26-19(31)15(12-25)21-30(4-2)20(32)16(33-21)13-27-18-9-7-8-17(28-18)22(23,24)14-29-10-5-6-11-29/h7-9,13H,3-6,10-11,14H2,1-2H3,(H,26,31)(H,27,28)/b16-13+,21-15-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide?
(2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide has a molecular weight of 476.55 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-5-[[[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-ethylacetamide is sourced from PubChem (CID 58795915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).