2-(4-methyl-1,3-thiazol-2-yl)propanoic acid

C7H9NO2S — CID 82598399

IUPAC2-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(C)C(=O)O)n1
InChIInChI=1S/C7H9NO2S/c1-4-3-11-6(8-4)5(2)7(9)10/h3,5H,1-2H3,(H,9,10)
InChIKeyNZFMOFBZGOYRGD-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.64
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid

2-(4-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 82598399) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID82598399
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(C)C(=O)O)n1
InChIInChI=1S/C7H9NO2S/c1-4-3-11-6(8-4)5(2)7(9)10/h3,5H,1-2H3,(H,9,10)
InChIKeyNZFMOFBZGOYRGD-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid (CID 82598399) is 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1csc(C(C)C(=O)O)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is NZFMOFBZGOYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-3-11-6(8-4)5(2)7(9)10/h3,5H,1-2H3,(H,9,10).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
2-(4-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 82598399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).