2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

C20H27F3N6O2S — CID 59203023

IUPAC2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNc1cc(NCCC2SC(CC(C#N)C(=O)NCC(F)(F)F)N(CC)C2=O)ccn1
InChIInChI=1S/C20H27F3N6O2S/c1-3-25-16-10-14(5-7-27-16)26-8-6-15-19(31)29(4-2)17(32-15)9-13(11-24)18(30)28-12-20(21,22)23/h5,7,10,13,15,17H,3-4,6,8-9,12H2,1-2H3,(H,28,30)(H2,25,26,27)
InChIKeyLYTDPGZRSZFJTC-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.81
Rot. Bonds11

About 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 59203023) has the molecular formula C20H27F3N6O2S and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID59203023
Molecular FormulaC20H27F3N6O2S
Molecular Weight472.54 g/mol
Exact Mass472.19
IUPAC Name2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNc1cc(NCCC2SC(CC(C#N)C(=O)NCC(F)(F)F)N(CC)C2=O)ccn1
InChIInChI=1S/C20H27F3N6O2S/c1-3-25-16-10-14(5-7-27-16)26-8-6-15-19(31)29(4-2)17(32-15)9-13(11-24)18(30)28-12-20(21,22)23/h5,7,10,13,15,17H,3-4,6,8-9,12H2,1-2H3,(H,28,30)(H2,25,26,27)
InChIKeyLYTDPGZRSZFJTC-UHFFFAOYSA-N
XLogP2.81
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 59203023) is 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is CCNc1cc(NCCC2SC(CC(C#N)C(=O)NCC(F)(F)F)N(CC)C2=O)ccn1.
What is the InChIKey of 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LYTDPGZRSZFJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6O2S/c1-3-25-16-10-14(5-7-27-16)26-8-6-15-19(31)29(4-2)17(32-15)9-13(11-24)18(30)28-12-20(21,22)23/h5,7,10,13,15,17H,3-4,6,8-9,12H2,1-2H3,(H,28,30)(H2,25,26,27).
What are the key properties of 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 472.54 g/mol, XLogP of 2.81, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[3-ethyl-5-[2-[[2-(ethylamino)-4-pyridinyl]amino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 59203023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).