5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

C8H11N3O5S2 — CID 113391925

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C8H11N3O5S2/c1-11(2)5(12)3-10-18(15,16)8-6(7(13)14)9-4-17-8/h4,10H,3H2,1-2H3,(H,13,14)
InChIKeyXFVPAXMCLBQMJP-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.79
Rot. Bonds5

About 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113391925) has the molecular formula C8H11N3O5S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113391925
Molecular FormulaC8H11N3O5S2
Molecular Weight293.33 g/mol
Exact Mass293.01
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C8H11N3O5S2/c1-11(2)5(12)3-10-18(15,16)8-6(7(13)14)9-4-17-8/h4,10H,3H2,1-2H3,(H,13,14)
InChIKeyXFVPAXMCLBQMJP-UHFFFAOYSA-N
XLogP-0.79
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 106209029
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106168048
5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391960
5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 146134257
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617669
5-[cyclopentyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391916

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 113391925) is 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is CN(C)C(=O)CNS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XFVPAXMCLBQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S2/c1-11(2)5(12)3-10-18(15,16)8-6(7(13)14)9-4-17-8/h4,10H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113391925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).