3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid

C12H17NO2S — CID 116889315

IUPAC3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1csc(C2CCC2)n1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15)6-9-7-16-10(13-9)8-4-3-5-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyQCEWINYBNQFHHY-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.06
Rot. Bonds4

About 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid

3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid (PubChem CID 116889315) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
PubChem CID116889315
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1csc(C2CCC2)n1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15)6-9-7-16-10(13-9)8-4-3-5-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyQCEWINYBNQFHHY-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 71972939
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 116965847
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid (CID 116889315) is 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid is CC(C)(Cc1csc(C2CCC2)n1)C(=O)O.
What is the InChIKey of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid?
The InChIKey is QCEWINYBNQFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,11(14)15)6-9-7-16-10(13-9)8-4-3-5-8/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid?
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid has a molecular weight of 239.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 116889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).