4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid

C10H16N2O2S — CID 80569513

IUPAC4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-5-10(3,4)12-9-11-6(2)7(15-9)8(13)14/h5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyRDEVNPLMDDAEEJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.75
Rot. Bonds4

About 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80569513) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80569513
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCC(C)(C)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-5-10(3,4)12-9-11-6(2)7(15-9)8(13)14/h5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyRDEVNPLMDDAEEJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106343034
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid (CID 80569513) is 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid is CCC(C)(C)Nc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RDEVNPLMDDAEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-10(3,4)12-9-11-6(2)7(15-9)8(13)14/h5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).