5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C8H13N3O4S2 — CID 79402264

IUPAC5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-9-5)11(4)17(14,15)10(2)3/h1-4H3,(H,12,13)
InChIKeyKQUMGSOIGVDBPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.39
Rot. Bonds4

About 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402264) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402264
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-9-5)11(4)17(14,15)10(2)3/h1-4H3,(H,12,13)
InChIKeyKQUMGSOIGVDBPX-UHFFFAOYSA-N
XLogP0.39
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402264) is 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)S(=O)(=O)N(C)C)c1C(=O)O.
What is the InChIKey of 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KQUMGSOIGVDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-9-5)11(4)17(14,15)10(2)3/h1-4H3,(H,12,13).
What are the key properties of 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).