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

C12H11NO3S — CID 61395433

IUPAC2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
SMILESCc1csc(Oc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C12H11NO3S/c1-8-7-17-12(13-8)16-10-4-2-9(3-5-10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyUEYWHFLRJFRRJC-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.87
Rot. Bonds4

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

2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid (PubChem CID 61395433) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
PubChem CID61395433
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid
SMILESCc1csc(Oc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C12H11NO3S/c1-8-7-17-12(13-8)16-10-4-2-9(3-5-10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyUEYWHFLRJFRRJC-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zoliprofen
CID 68758
(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
CID 738083
2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 4980640
4-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-
CID 6447756
{4-[(1,3-Thiazol-2-yl)oxy]phenyl}acetic acid
CID 12785127
2-[4-(2-Thiazolyloxy)phenyl]butyric acid
CID 12785140
2-[2-Fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 12785124
2-[3-Fluoro-4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 12785135
2-[3-Methoxy-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]acetic acid
CID 17854750
2-[4-Fluoro-3-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]propanoic acid
CID 20364676
2-Methyl-2-[[4-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoic acid
CID 59759053
7-[[4-[2-[4-(4-Fluorocyclohexa-1,3-dien-1-yl)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]heptanoic acid
CID 71173178

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid (CID 61395433) is 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid is Cc1csc(Oc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
The InChIKey is UEYWHFLRJFRRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-7-17-12(13-8)16-10-4-2-9(3-5-10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid?
2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid has a molecular weight of 249.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 61395433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).