3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

C13H13NO3S — CID 82303207

IUPAC3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOc1ccccc1-c1ncc(CCC(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-17-11-5-3-2-4-10(11)13-14-8-9(18-13)6-7-12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyMVBSFFGUHIXDTQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.84
Rot. Bonds5

About 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82303207) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID82303207
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOc1ccccc1-c1ncc(CCC(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-17-11-5-3-2-4-10(11)13-14-8-9(18-13)6-7-12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyMVBSFFGUHIXDTQ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
3-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoic acid
CID 115091900
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70754165
3-[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82423026
3-[5-(2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302130
2-(3-fluoro-4-hydroxyphenyl)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 137345174
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131915312

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid (CID 82303207) is 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid is COc1ccccc1-c1ncc(CCC(=O)O)s1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is MVBSFFGUHIXDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-17-11-5-3-2-4-10(11)13-14-8-9(18-13)6-7-12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 263.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82303207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).