2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid

C11H9NO2S — CID 130731432

IUPAC2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccsn2)c1
InChIInChI=1S/C11H9NO2S/c13-11(14)7-8-2-1-3-9(6-8)10-4-5-15-12-10/h1-6H,7H2,(H,13,14)
InChIKeyAALSWGZYDFKYDT-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.44
Rot. Bonds3

About 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid

2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid (PubChem CID 130731432) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
PubChem CID130731432
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccsn2)c1
InChIInChI=1S/C11H9NO2S/c13-11(14)7-8-2-1-3-9(6-8)10-4-5-15-12-10/h1-6H,7H2,(H,13,14)
InChIKeyAALSWGZYDFKYDT-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetic acid
CID 130250837
2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
CID 155912044
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid (CID 130731432) is 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccsn2)c1.
What is the InChIKey of 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid?
The InChIKey is AALSWGZYDFKYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-11(14)7-8-2-1-3-9(6-8)10-4-5-15-12-10/h1-6H,7H2,(H,13,14).
What are the key properties of 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid?
2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid has a molecular weight of 219.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid is sourced from PubChem (CID 130731432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).