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

C10H17N3O4S2 — CID 114806621

IUPAC5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H17N3O4S2/c1-6-7(9(14)15)8(18-11-6)13(5)19(16,17)12-10(2,3)4/h12H,1-5H3,(H,14,15)
InChIKeyICKTXKXKMZLKTK-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.22
Rot. Bonds4

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

5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 114806621) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID114806621
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H17N3O4S2/c1-6-7(9(14)15)8(18-11-6)13(5)19(16,17)12-10(2,3)4/h12H,1-5H3,(H,14,15)
InChIKeyICKTXKXKMZLKTK-UHFFFAOYSA-N
XLogP1.22
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid
CID 7131140
5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
CID 39079
5-(Cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 16768470
3-Methyl-5-(4,4,4-trifluorobutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 65711502
3-Methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylic acid
CID 79401911
3-Methyl-5-[methyl(trifluoromethylsulfonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402110
5-[Difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402115
3-Methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxylic acid
CID 79402438
5-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79811608
3-Methyl-5-[methyl(4,4,4-trifluorobutylsulfonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 83048289
3-Methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazole-4-carboxylic acid
CID 105939525
3-Methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylic acid
CID 106295440

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 114806621) is 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)S(=O)(=O)NC(C)(C)C)c1C(=O)O.
What is the InChIKey of 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is ICKTXKXKMZLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-6-7(9(14)15)8(18-11-6)13(5)19(16,17)12-10(2,3)4/h12H,1-5H3,(H,14,15).
What are the key properties of 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 307.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butylsulfamoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 114806621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).