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

C10H16N2O4S2 — CID 80570707

IUPAC4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCC(C)(C)S(C)(=O)=O)sc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-6-7(8(13)14)17-9(12-6)11-5-10(2,3)18(4,15)16/h5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyYIHZXSCZUZISSR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.38
Rot. Bonds5

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

4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570707) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570707
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCC(C)(C)S(C)(=O)=O)sc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-6-7(8(13)14)17-9(12-6)11-5-10(2,3)18(4,15)16/h5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyYIHZXSCZUZISSR-UHFFFAOYSA-N
XLogP1.38
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106343034
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 84761860
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
2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674
4-methyl-2-[(5-methylpyrazin-2-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80570031

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 80570707) is 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NCC(C)(C)S(C)(=O)=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YIHZXSCZUZISSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-6-7(8(13)14)17-9(12-6)11-5-10(2,3)18(4,15)16/h5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).