N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C11H16N2O3S — CID 63312220

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1ccsc1=O)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)12-9(15)6-13-4-5-17-11(13)16/h4-5,7,10H,6H2,1-3H3,(H,12,15)
InChIKeyKCYLBGYDGMMLGH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.64
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 63312220) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID63312220
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1ccsc1=O)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)12-9(15)6-13-4-5-17-11(13)16/h4-5,7,10H,6H2,1-3H3,(H,12,15)
InChIKeyKCYLBGYDGMMLGH-UHFFFAOYSA-N
XLogP0.64
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 63312220) is N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CC(=O)C(NC(=O)Cn1ccsc1=O)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is KCYLBGYDGMMLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)12-9(15)6-13-4-5-17-11(13)16/h4-5,7,10H,6H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 63312220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).