2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid

C10H15NO3S — CID 82155383

IUPAC2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(CCCO)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H15NO3S/c1-10(2,4-3-5-12)9-11-7(6-15-9)8(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyBVOJAOPBPBAABQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.89
Rot. Bonds5

About 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid

2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82155383) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID82155383
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(CCCO)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H15NO3S/c1-10(2,4-3-5-12)9-11-7(6-15-9)8(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyBVOJAOPBPBAABQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-5-(4-methylphenoxy)pentan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 94760820
2-[1-(4-carboxyphenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155372
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155371
2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155385
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 94760837
2-[2-(4-aminophenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82548154
4-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119171014
4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-ol
CID 110931935
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220
benzoic acid;6-methylheptane-1,6-diol
CID 175023836

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid (CID 82155383) is 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid is CC(C)(CCCO)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BVOJAOPBPBAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(2,4-3-5-12)9-11-7(6-15-9)8(13)14/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid?
2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 229.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-methylpentan-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82155383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).