2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide

C24H34FN5O3S — CID 59202977

IUPAC2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide
SMILESCCN1C(=O)C(CCNc2cccc(N(C)C(=O)C(C)C)c2)SC1CC(C#N)C(=O)NCCF
InChIInChI=1S/C24H34FN5O3S/c1-5-30-21(13-17(15-26)22(31)28-12-10-25)34-20(24(30)33)9-11-27-18-7-6-8-19(14-18)29(4)23(32)16(2)3/h6-8,14,16-17,20-21,27H,5,9-13H2,1-4H3,(H,28,31)
InChIKeyXMZLHDLJGJOLSY-UHFFFAOYSA-N
MW491.63 g/mol
LogP3.01
Rot. Bonds12

About 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide

2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide (PubChem CID 59202977) has the molecular formula C24H34FN5O3S and a molecular weight of 491.63 g/mol. Its IUPAC name is 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide
PubChem CID59202977
Molecular FormulaC24H34FN5O3S
Molecular Weight491.63 g/mol
Exact Mass491.24
IUPAC Name2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide
SMILESCCN1C(=O)C(CCNc2cccc(N(C)C(=O)C(C)C)c2)SC1CC(C#N)C(=O)NCCF
InChIInChI=1S/C24H34FN5O3S/c1-5-30-21(13-17(15-26)22(31)28-12-10-25)34-20(24(30)33)9-11-27-18-7-6-8-19(14-18)29(4)23(32)16(2)3/h6-8,14,16-17,20-21,27H,5,9-13H2,1-4H3,(H,28,31)
InChIKeyXMZLHDLJGJOLSY-UHFFFAOYSA-N
XLogP3.01
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide?
The IUPAC name of 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide (CID 59202977) is 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide is CCN1C(=O)C(CCNc2cccc(N(C)C(=O)C(C)C)c2)SC1CC(C#N)C(=O)NCCF.
What is the InChIKey of 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide?
The InChIKey is XMZLHDLJGJOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O3S/c1-5-30-21(13-17(15-26)22(31)28-12-10-25)34-20(24(30)33)9-11-27-18-7-6-8-19(14-18)29(4)23(32)16(2)3/h6-8,14,16-17,20-21,27H,5,9-13H2,1-4H3,(H,28,31).
What are the key properties of 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide?
2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide has a molecular weight of 491.63 g/mol, XLogP of 3.01, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[3-ethyl-5-[2-[3-[methyl(2-methylpropanoyl)amino]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 59202977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).