2-methyl-2-(1,3-thiazol-2-yl)butanoic acid

C8H11NO2S — CID 130545087

IUPAC2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-3-8(2,7(10)11)6-9-4-5-12-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyHFKRZZJSZMFTOG-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid

2-methyl-2-(1,3-thiazol-2-yl)butanoic acid (PubChem CID 130545087) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
PubChem CID130545087
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
SMILESCCC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-3-8(2,7(10)11)6-9-4-5-12-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyHFKRZZJSZMFTOG-UHFFFAOYSA-N
XLogP1.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
4-amino-3-methyl-3-(1,3-thiazol-2-yl)butanoic acid
CID 66098936
2-ethyl-2-(1,3-thiazol-2-ylsulfanyl)butanoic acid
CID 114993374
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid (CID 130545087) is 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid is CCC(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid?
The InChIKey is HFKRZZJSZMFTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-8(2,7(10)11)6-9-4-5-12-6/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid?
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 130545087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).