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

C13H13NO3S — CID 39362974

IUPAC2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCOc1ccccc1-c1sc(CC(=O)O)nc1C
InChIInChI=1S/C13H13NO3S/c1-8-13(18-11(14-8)7-12(15)16)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyNQTNSYKJTHGCRH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.75
Rot. Bonds4

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

2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 39362974) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID39362974
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCOc1ccccc1-c1sc(CC(=O)O)nc1C
InChIInChI=1S/C13H13NO3S/c1-8-13(18-11(14-8)7-12(15)16)9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyNQTNSYKJTHGCRH-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-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-ethyl-5-(2-ethylphenyl)-4-methyl-1,3-thiazole
CID 70862263
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 39351015
2-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-1-phenylethanone
CID 159737921
2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 82484377
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 39362974) is 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid is COc1ccccc1-c1sc(CC(=O)O)nc1C.
What is the InChIKey of 2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is NQTNSYKJTHGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-13(18-11(14-8)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-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-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-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 39362974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).