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

C10H14N2O5S — CID 82225305

IUPAC3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCOCCNC(=O)Cn1c(C)c(C(=O)O)sc1=O
InChIInChI=1S/C10H14N2O5S/c1-6-8(9(14)15)18-10(16)12(6)5-7(13)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyDTEVSTUZRMEOAY-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.32
Rot. Bonds6

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

3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid (PubChem CID 82225305) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
PubChem CID82225305
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCOCCNC(=O)Cn1c(C)c(C(=O)O)sc1=O
InChIInChI=1S/C10H14N2O5S/c1-6-8(9(14)15)18-10(16)12(6)5-7(13)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyDTEVSTUZRMEOAY-UHFFFAOYSA-N
XLogP-0.32
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
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N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82099535
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
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N-(2-methoxyethyl)-2-(2-oxopiperazin-1-yl)acetamide;hydrochloride
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N-(2-methoxyethyl)-2-(2-oxo-1H-imidazol-3-yl)acetamide
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2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid (CID 82225305) is 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid is COCCNC(=O)Cn1c(C)c(C(=O)O)sc1=O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
The InChIKey is DTEVSTUZRMEOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6-8(9(14)15)18-10(16)12(6)5-7(13)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid?
3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82225305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).