2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C10H14N2O4S — CID 66379813

IUPAC2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOCC(=O)NC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-3-16-4-8(13)11-6(2)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWANKWXIOEWJZLG-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.05
Rot. Bonds6

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

2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379813) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379813
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOCC(=O)NC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-3-16-4-8(13)11-6(2)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWANKWXIOEWJZLG-UHFFFAOYSA-N
XLogP1.05
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-propoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114018222
2-[1-(3-ethoxypropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372944
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246
2-[1-[3-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372493
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374134
2-[1-(hexan-2-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372431
2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373261
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372952
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
2-[1-(pentan-2-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 107886517

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66379813) is 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCOCC(=O)NC(C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WANKWXIOEWJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-16-4-8(13)11-6(2)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).