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

C7H9NO2S — CID 82412106

IUPAC3-(3-methyl-1,2-thiazol-5-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)sn1
InChIInChI=1S/C7H9NO2S/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyANJRXKBAUDHENL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.47
Rot. Bonds3

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

3-(3-methyl-1,2-thiazol-5-yl)propanoic acid (PubChem CID 82412106) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)propanoic acid
PubChem CID82412106
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)propanoic acid
SMILESCc1cc(CCC(=O)O)sn1
InChIInChI=1S/C7H9NO2S/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyANJRXKBAUDHENL-UHFFFAOYSA-N
XLogP1.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-thiazol-5-yl)acetic acid
CID 82372986
2,2-Difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 130882635
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
2,2-Difluoro-3-(3-methyl-1,2-thiazol-5-yl)propanoic acid
CID 165463783
5-Methyl-3-isothiazoleacetic acid
CID 14791280
3-Pentyl-1,2-thiazole-5-carboxylic acid
CID 69914274
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid
CID 126985703
2-(3-Tert-butyl-1,2-thiazol-5-yl)acetic acid
CID 82372987
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
2-(3-Propan-2-yl-1,2-thiazol-5-yl)acetic acid
CID 82372989
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Cyclopropyl-1,2-thiazol-5-yl)acetic acid
CID 82372992

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid (CID 82412106) is 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid is Cc1cc(CCC(=O)O)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid?
The InChIKey is ANJRXKBAUDHENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-4-6(11-8-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid?
3-(3-methyl-1,2-thiazol-5-yl)propanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82412106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).