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

C26H26F3N7O3S — CID 58795908

IUPAC(2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN(C)Cc3ccccc3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C26H26F3N7O3S/c1-3-36-24(39)19(40-25(36)18(12-30)23(38)32-16-26(27,28)29)13-31-20-10-7-11-21(33-20)34-22(37)15-35(2)14-17-8-5-4-6-9-17/h4-11,13H,3,14-16H2,1-2H3,(H,32,38)(H2,31,33,34,37)/b19-13+,25-18-
InChIKeyWJZRAFXONDVMFP-ZFNMNMIBSA-N
MW573.60 g/mol
LogP1.60
Rot. Bonds10

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

(2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58795908) has the molecular formula C26H26F3N7O3S and a molecular weight of 573.60 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58795908
Molecular FormulaC26H26F3N7O3S
Molecular Weight573.60 g/mol
Exact Mass573.18
IUPAC Name(2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN(C)Cc3ccccc3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F
InChIInChI=1S/C26H26F3N7O3S/c1-3-36-24(39)19(40-25(36)18(12-30)23(38)32-16-26(27,28)29)13-31-20-10-7-11-21(33-20)34-22(37)15-35(2)14-17-8-5-4-6-9-17/h4-11,13H,3,14-16H2,1-2H3,(H,32,38)(H2,31,33,34,37)/b19-13+,25-18-
InChIKeyWJZRAFXONDVMFP-ZFNMNMIBSA-N
XLogP1.60
TPSA132.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.60
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-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-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide (CID 58795908) is (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C\Nc2cccc(NC(=O)CN(C)Cc3ccccc3)n2)s/c1=C(/C#N)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WJZRAFXONDVMFP-ZFNMNMIBSA-N. The full InChI is InChI=1S/C26H26F3N7O3S/c1-3-36-24(39)19(40-25(36)18(12-30)23(38)32-16-26(27,28)29)13-31-20-10-7-11-21(33-20)34-22(37)15-35(2)14-17-8-5-4-6-9-17/h4-11,13H,3,14-16H2,1-2H3,(H,32,38)(H2,31,33,34,37)/b19-13+,25-18-.
What are the key properties of (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide?
(2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 573.60 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-5-[[[6-[[2-[benzyl(methyl)amino]acetyl]amino]-2-pyridinyl]amino]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).