4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid

C14H15NO3S — CID 55035243

IUPAC4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCCc2scnc2C)c1
InChIInChI=1S/C14H15NO3S/c1-9-3-4-11(14(16)17)12(7-9)18-6-5-13-10(2)15-8-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyZQJZIQULJDEUOK-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.08
Rot. Bonds5

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

4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid (PubChem CID 55035243) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
PubChem CID55035243
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCCc2scnc2C)c1
InChIInChI=1S/C14H15NO3S/c1-9-3-4-11(14(16)17)12(7-9)18-6-5-13-10(2)15-8-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyZQJZIQULJDEUOK-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
CID 63651606
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
CID 43532271
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(4-bromobutoxy)-4-methylbenzoic acid
CID 19039706
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
4-methyl-2-pent-3-ynoxybenzoic acid
CID 104804076
4-methyl-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326212
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid?
The IUPAC name of 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid (CID 55035243) is 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid is Cc1ccc(C(=O)O)c(OCCc2scnc2C)c1.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid?
The InChIKey is ZQJZIQULJDEUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-3-4-11(14(16)17)12(7-9)18-6-5-13-10(2)15-8-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid?
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid has a molecular weight of 277.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid is sourced from PubChem (CID 55035243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).