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

C12H11NO3S — CID 28864574

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESCc1nc(-c2ccccc2OCC(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-8-13-10(7-17-8)9-4-2-3-5-11(9)16-6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySEVISPRSNBHYJQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.58
Rot. Bonds4

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

2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid (PubChem CID 28864574) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
PubChem CID28864574
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
SMILESCc1nc(-c2ccccc2OCC(=O)O)cs1
InChIInChI=1S/C12H11NO3S/c1-8-13-10(7-17-8)9-4-2-3-5-11(9)16-6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySEVISPRSNBHYJQ-UHFFFAOYSA-N
XLogP2.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635
N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
CID 39163001
3-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967634
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid (CID 28864574) is 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid is Cc1nc(-c2ccccc2OCC(=O)O)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid?
The InChIKey is SEVISPRSNBHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-13-10(7-17-8)9-4-2-3-5-11(9)16-6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid?
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid has a molecular weight of 249.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 28864574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).