2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid

C13H13NO4S — CID 62961025

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
SMILESCCc1csc(Oc2ccc(OC)cc2C(=O)O)n1
InChIInChI=1S/C13H13NO4S/c1-3-8-7-19-13(14-8)18-11-5-4-9(17-2)6-10(11)12(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyMRBMIRGBJFBVIO-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.20
Rot. Bonds5

About 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid

2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid (PubChem CID 62961025) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
PubChem CID62961025
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
SMILESCCc1csc(Oc2ccc(OC)cc2C(=O)O)n1
InChIInChI=1S/C13H13NO4S/c1-3-8-7-19-13(14-8)18-11-5-4-9(17-2)6-10(11)12(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyMRBMIRGBJFBVIO-UHFFFAOYSA-N
XLogP3.20
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 83155338
4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672862
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(4-bromo-2-methylphenoxy)-4-ethyl-1,3-thiazole
CID 63214900
5-chloro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 61395722
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzoic acid
CID 115298178
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid (CID 62961025) is 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid is CCc1csc(Oc2ccc(OC)cc2C(=O)O)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
The InChIKey is MRBMIRGBJFBVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-3-8-7-19-13(14-8)18-11-5-4-9(17-2)6-10(11)12(15)16/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid?
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid has a molecular weight of 279.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid is sourced from PubChem (CID 62961025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).