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

C9H15N3O4S2 — CID 106343034

IUPAC2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCS(=O)(=O)N(C)C)sc1C(=O)O
InChIInChI=1S/C9H15N3O4S2/c1-6-7(8(13)14)17-9(11-6)10-4-5-18(15,16)12(2)3/h4-5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyDHWSLEPPIKNQRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.45
Rot. Bonds6

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

2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 106343034) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID106343034
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCS(=O)(=O)N(C)C)sc1C(=O)O
InChIInChI=1S/C9H15N3O4S2/c1-6-7(8(13)14)17-9(11-6)10-4-5-18(15,16)12(2)3/h4-5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyDHWSLEPPIKNQRR-UHFFFAOYSA-N
XLogP0.45
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570707
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
2-[2-(dimethylsulfamoyl)ethylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106343051
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 84761860
2-[2-(2,6-dimethylphenoxy)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9156014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 106343034) is 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NCCS(=O)(=O)N(C)C)sc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DHWSLEPPIKNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-6-7(8(13)14)17-9(11-6)10-4-5-18(15,16)12(2)3/h4-5H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106343034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).