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

C14H15NO3S — CID 39376254

IUPAC2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1nc(C)sc1CC(=O)O
InChIInChI=1S/C14H15NO3S/c1-8-4-5-11(18-3)10(6-8)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyUHKCOLTUIZPOHW-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.06
Rot. Bonds4

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

2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 39376254) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID39376254
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1nc(C)sc1CC(=O)O
InChIInChI=1S/C14H15NO3S/c1-8-4-5-11(18-3)10(6-8)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyUHKCOLTUIZPOHW-UHFFFAOYSA-N
XLogP3.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.06
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-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
5-(2-chloroethyl)-4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazole
CID 28710063
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82541050
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
N-(5-chloro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26094727
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (CID 39376254) is 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is COc1ccc(C)cc1-c1nc(C)sc1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is UHKCOLTUIZPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-8-4-5-11(18-3)10(6-8)14-12(7-13(16)17)19-9(2)15-14/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39376254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).