2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

C8H10N2O3S — CID 13121966

IUPAC2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C8H10N2O3S/c1-10(2)7(11)3-6-9-5(4-14-6)8(12)13/h4H,3H2,1-2H3,(H,12,13)
InChIKeyLCVODDVBYIGDIS-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.47
Rot. Bonds3

About 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 13121966) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID13121966
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C8H10N2O3S/c1-10(2)7(11)3-6-9-5(4-14-6)8(12)13/h4H,3H2,1-2H3,(H,12,13)
InChIKeyLCVODDVBYIGDIS-UHFFFAOYSA-N
XLogP0.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (CID 13121966) is 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is CN(C)C(=O)Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LCVODDVBYIGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-10(2)7(11)3-6-9-5(4-14-6)8(12)13/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 13121966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).