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

C13H13NO3S — CID 80741744

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
SMILESCc1csc(COc2ccccc2CC(=O)O)n1
InChIInChI=1S/C13H13NO3S/c1-9-8-18-12(14-9)7-17-11-5-3-2-4-10(11)6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyJKGYWELWMPBDEF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.66
Rot. Bonds5

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

2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid (PubChem CID 80741744) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
PubChem CID80741744
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
SMILESCc1csc(COc2ccccc2CC(=O)O)n1
InChIInChI=1S/C13H13NO3S/c1-9-8-18-12(14-9)7-17-11-5-3-2-4-10(11)6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyJKGYWELWMPBDEF-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole
CID 79025552
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
CID 131842856
CID 131842856
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid (CID 80741744) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid is Cc1csc(COc2ccccc2CC(=O)O)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid?
The InChIKey is JKGYWELWMPBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-8-18-12(14-9)7-17-11-5-3-2-4-10(11)6-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid?
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 80741744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).