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

C14H15NO4S — CID 16769058

IUPAC3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1csc(C)n1
InChIInChI=1S/C14H15NO4S/c1-3-18-12-6-4-5-11(14(16)17)13(12)19-7-10-8-20-9(2)15-10/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyFURLIUBDWHGXIE-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.13
Rot. Bonds6

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

3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 16769058) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID16769058
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1csc(C)n1
InChIInChI=1S/C14H15NO4S/c1-3-18-12-6-4-5-11(14(16)17)13(12)19-7-10-8-20-9(2)15-10/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyFURLIUBDWHGXIE-UHFFFAOYSA-N
XLogP3.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
CID 60911184
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43366553
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
CID 43174579
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 16769058) is 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is CCOc1cccc(C(=O)O)c1OCc1csc(C)n1.
What is the InChIKey of 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is FURLIUBDWHGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-18-12-6-4-5-11(14(16)17)13(12)19-7-10-8-20-9(2)15-10/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 293.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 16769058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).