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

C9H14N2O3S — CID 84761860

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)(C)CO)sc1C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-5-6(7(13)14)15-8(10-5)11-9(2,3)4-12/h12H,4H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyHZFWAPJCJFPRLU-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.33
Rot. Bonds4

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

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 84761860) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID84761860
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)(C)CO)sc1C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-5-6(7(13)14)15-8(10-5)11-9(2,3)4-12/h12H,4H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyHZFWAPJCJFPRLU-UHFFFAOYSA-N
XLogP1.33
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570707
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674
2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
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
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
2-[2-(dimethylsulfamoyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106343034
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530022

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 84761860) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(C)(C)CO)sc1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HZFWAPJCJFPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-5-6(7(13)14)15-8(10-5)11-9(2,3)4-12/h12H,4H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 84761860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).