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

C12H19N3O3S — CID 143242332

IUPAC2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCCN1C(=O)CSC1C(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C12H19N3O3S/c1-4-15-9(17)6-19-11(15)8(5-13)10(18)14-12(2,3)7-16/h8,11,16H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyRYUAFCPDBJWQQD-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds5

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

2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 143242332) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID143242332
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCCN1C(=O)CSC1C(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C12H19N3O3S/c1-4-15-9(17)6-19-11(15)8(5-13)10(18)14-12(2,3)7-16/h8,11,16H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyRYUAFCPDBJWQQD-UHFFFAOYSA-N
XLogP-0.07
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-3-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 58796451
(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide
CID 163454521
(2Z)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-1-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 11644896
(2E)-2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-1-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 15976823
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 43393259
n-(1-Hydroxypropan-2-yl)-3-(2-oxothiazolidin-3-yl)propanamide
CID 43418685
N-[3-(hydroxymethyl)pentan-3-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 62519953
N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64555443
N-[(2S)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 65808440
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79027316
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79247361
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79253110

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 143242332) is 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CCN1C(=O)CSC1C(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is RYUAFCPDBJWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-15-9(17)6-19-11(15)8(5-13)10(18)14-12(2,3)7-16/h8,11,16H,4,6-7H2,1-3H3,(H,14,18).
What are the key properties of 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 143242332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).