2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid

C13H13NO3S — CID 39362994

IUPAC2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1nc(C)sc1CC(=O)O
InChIInChI=1S/C13H13NO3S/c1-8-14-13(11(18-8)7-12(15)16)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyHVCZRTVGENPQEN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid

2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 39362994) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID39362994
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1-c1nc(C)sc1CC(=O)O
InChIInChI=1S/C13H13NO3S/c1-8-14-13(11(18-8)7-12(15)16)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyHVCZRTVGENPQEN-UHFFFAOYSA-N
XLogP2.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
CID 82389837
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
methyl (E)-3-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoate
CID 110447202
2-[6-(2-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035856
(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
CID 2129174
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (CID 39362994) is 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is COc1ccccc1-c1nc(C)sc1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HVCZRTVGENPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-14-13(11(18-8)7-12(15)16)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39362994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).