3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid

C9H13NO2S — CID 82428151

IUPAC3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(C)sc1CCC(=O)O
InChIInChI=1S/C9H13NO2S/c1-3-7-8(4-5-9(11)12)13-6(2)10-7/h3-5H2,1-2H3,(H,11,12)
InChIKeyLTPMCJGUYPGLCQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.03
Rot. Bonds4

About 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid

3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82428151) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82428151
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(C)sc1CCC(=O)O
InChIInChI=1S/C9H13NO2S/c1-3-7-8(4-5-9(11)12)13-6(2)10-7/h3-5H2,1-2H3,(H,11,12)
InChIKeyLTPMCJGUYPGLCQ-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid (CID 82428151) is 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid is CCc1nc(C)sc1CCC(=O)O.
What is the InChIKey of 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is LTPMCJGUYPGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-7-8(4-5-9(11)12)13-6(2)10-7/h3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid?
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 199.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).