2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide

C11H16N2O2S — CID 25130827

IUPAC2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)c1cnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-5-7(14)8-6-12-10(16-8)13-9(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeySVJGJEULLCASLO-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.72
Rot. Bonds3

About 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide

2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide (PubChem CID 25130827) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide
PubChem CID25130827
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)c1cnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-5-7(14)8-6-12-10(16-8)13-9(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeySVJGJEULLCASLO-UHFFFAOYSA-N
XLogP2.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide (CID 25130827) is 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide is CCC(=O)c1cnc(NC(=O)C(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SVJGJEULLCASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-5-7(14)8-6-12-10(16-8)13-9(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-propanoyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 25130827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).