3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid

C14H15NO3S — CID 82827217

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
SMILESCc1nc(COc2cccc(C(=O)O)c2C)sc1C
InChIInChI=1S/C14H15NO3S/c1-8-11(14(16)17)5-4-6-12(8)18-7-13-15-9(2)10(3)19-13/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyOBVMIAIYVPUJOU-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.35
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid (PubChem CID 82827217) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
PubChem CID82827217
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
SMILESCc1nc(COc2cccc(C(=O)O)c2C)sc1C
InChIInChI=1S/C14H15NO3S/c1-8-11(14(16)17)5-4-6-12(8)18-7-13-15-9(2)10(3)19-13/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyOBVMIAIYVPUJOU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-6-nitrobenzoic acid
CID 107341162
methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
CID 71909586
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 82826501
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 113265047
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4,5-dimethyl-1,3-thiazole
CID 113276966
3-(cyanomethoxy)-2-methylbenzoic acid
CID 82829849
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid (CID 82827217) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid is Cc1nc(COc2cccc(C(=O)O)c2C)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid?
The InChIKey is OBVMIAIYVPUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-8-11(14(16)17)5-4-6-12(8)18-7-13-15-9(2)10(3)19-13/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid has a molecular weight of 277.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82827217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).