2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C13H21N3O3S — CID 58796451

IUPAC2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCCN1C(=O)CSC1CC(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H21N3O3S/c1-4-16-10(18)7-20-11(16)5-9(6-14)12(19)15-13(2,3)8-17/h9,11,17H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyHZGHVNLCQBLECN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.32
Rot. Bonds6

About 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 58796451) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID58796451
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCCN1C(=O)CSC1CC(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H21N3O3S/c1-4-16-10(18)7-20-11(16)5-9(6-14)12(19)15-13(2,3)8-17/h9,11,17H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyHZGHVNLCQBLECN-UHFFFAOYSA-N
XLogP0.32
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 58796451) is 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CCN1C(=O)CSC1CC(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is HZGHVNLCQBLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16-10(18)7-20-11(16)5-9(6-14)12(19)15-13(2,3)8-17/h9,11,17H,4-5,7-8H2,1-3H3,(H,15,19).
What are the key properties of 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 58796451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).