2-methyl-2-(1,3-thiazol-5-yl)propanoic acid

C7H9NO2S — CID 165490479

IUPAC2-methyl-2-(1,3-thiazol-5-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cncs1
InChIInChI=1S/C7H9NO2S/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10)
InChIKeyCMLLZLOJUUBLIZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.51
Rot. Bonds2

About 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid

2-methyl-2-(1,3-thiazol-5-yl)propanoic acid (PubChem CID 165490479) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-5-yl)propanoic acid
PubChem CID165490479
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-methyl-2-(1,3-thiazol-5-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1cncs1
InChIInChI=1S/C7H9NO2S/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10)
InChIKeyCMLLZLOJUUBLIZ-UHFFFAOYSA-N
XLogP1.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
1-(1,3-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96739060
2-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 154879069
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
2,2-Difluoro-2-(thiazol-5-yl)acetic acid
CID 132353917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid (CID 165490479) is 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid is CC(C)(C(=O)O)c1cncs1.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid?
The InChIKey is CMLLZLOJUUBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-7(2,6(9)10)5-3-8-4-11-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-(1,3-thiazol-5-yl)propanoic acid?
2-methyl-2-(1,3-thiazol-5-yl)propanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.51, 2 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-5-yl)propanoic acid is sourced from PubChem (CID 165490479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).