2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H17N3O5S — CID 66374134

IUPAC2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)NC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H17N3O5S/c1-4-20-9(16)5-15(3)12(19)13-7(2)10-14-8(6-21-10)11(17)18/h6-7H,4-5H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyNYUKSBWCAJEUBW-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374134) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374134
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)NC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H17N3O5S/c1-4-20-9(16)5-15(3)12(19)13-7(2)10-14-8(6-21-10)11(17)18/h6-7H,4-5H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyNYUKSBWCAJEUBW-UHFFFAOYSA-N
XLogP1.11
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372952
2-[1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372818
2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374345
2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379813
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246
2-[1-[(2-propoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114018222
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052
2-[1-[(6-amino-2-methylheptanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379821
2-[1-(3-ethoxypropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372944
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374134) is 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCOC(=O)CN(C)C(=O)NC(C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NYUKSBWCAJEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-4-20-9(16)5-15(3)12(19)13-7(2)10-14-8(6-21-10)11(17)18/h6-7H,4-5H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).