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

C13H13NO3S — CID 83967585

IUPAC3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
SMILESCc1nc(-c2ccc(OCCC(=O)O)cc2)cs1
InChIInChI=1S/C13H13NO3S/c1-9-14-12(8-18-9)10-2-4-11(5-3-10)17-7-6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyDUKCCXPNATUMTK-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.97
Rot. Bonds5

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

3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid (PubChem CID 83967585) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
PubChem CID83967585
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
SMILESCc1nc(-c2ccc(OCCC(=O)O)cc2)cs1
InChIInChI=1S/C13H13NO3S/c1-9-14-12(8-18-9)10-2-4-11(5-3-10)17-7-6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyDUKCCXPNATUMTK-UHFFFAOYSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122074952
4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749716
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
CID 166393797
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]phenyl]-2-methyl-1,3-thiazole
CID 123280035
2-chloro-1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 83969147
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 119039533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid (CID 83967585) is 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid is Cc1nc(-c2ccc(OCCC(=O)O)cc2)cs1.
What is the InChIKey of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid?
The InChIKey is DUKCCXPNATUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-14-12(8-18-9)10-2-4-11(5-3-10)17-7-6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid?
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid has a molecular weight of 263.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid is sourced from PubChem (CID 83967585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).