5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C10H14N2O6S2 — CID 61459092

IUPAC5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O6S2/c1-3-18-7(13)4-5-20(16,17)12-9-8(10(14)15)6(2)11-19-9/h12H,3-5H2,1-2H3,(H,14,15)
InChIKeyJTHYHVPHAMSXIE-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.84
Rot. Bonds7

About 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 61459092) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID61459092
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Name5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O6S2/c1-3-18-7(13)4-5-20(16,17)12-9-8(10(14)15)6(2)11-19-9/h12H,3-5H2,1-2H3,(H,14,15)
InChIKeyJTHYHVPHAMSXIE-UHFFFAOYSA-N
XLogP0.84
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
CID 61459443
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-hydroxybenzoic acid
CID 61459053
3-methyl-5-(pyrrolidin-1-ylsulfonylamino)-1,2-thiazole-4-carboxylic acid
CID 60869216
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527880
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
2-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380108
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 61459092) is 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is CCOC(=O)CCS(=O)(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is JTHYHVPHAMSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S2/c1-3-18-7(13)4-5-20(16,17)12-9-8(10(14)15)6(2)11-19-9/h12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 61459092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).