3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid

C11H16N2O4S — CID 82225302

IUPAC3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)C(=O)Cn1c(C)c(C(=O)O)sc1=O
InChIInChI=1S/C11H16N2O4S/c1-4-12(5-2)8(14)6-13-7(3)9(10(15)16)18-11(13)17/h4-6H2,1-3H3,(H,15,16)
InChIKeyCBFFLBHUHMDXAC-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.78
Rot. Bonds5

About 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid

3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid (PubChem CID 82225302) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
PubChem CID82225302
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)C(=O)Cn1c(C)c(C(=O)O)sc1=O
InChIInChI=1S/C11H16N2O4S/c1-4-12(5-2)8(14)6-13-7(3)9(10(15)16)18-11(13)17/h4-6H2,1-3H3,(H,15,16)
InChIKeyCBFFLBHUHMDXAC-UHFFFAOYSA-N
XLogP0.78
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid (CID 82225302) is 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid is CCN(CC)C(=O)Cn1c(C)c(C(=O)O)sc1=O.
What is the InChIKey of 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The InChIKey is CBFFLBHUHMDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-4-12(5-2)8(14)6-13-7(3)9(10(15)16)18-11(13)17/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82225302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).