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

C14H15NO3S — CID 60722313

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
SMILESCCc1nc(COc2cc(C(=O)O)ccc2C)cs1
InChIInChI=1S/C14H15NO3S/c1-3-13-15-11(8-19-13)7-18-12-6-10(14(16)17)5-4-9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyBJNPEPCXNFLQTD-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.29
Rot. Bonds5

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

3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid (PubChem CID 60722313) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
PubChem CID60722313
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
SMILESCCc1nc(COc2cc(C(=O)O)ccc2C)cs1
InChIInChI=1S/C14H15NO3S/c1-3-13-15-11(8-19-13)7-18-12-6-10(14(16)17)5-4-9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyBJNPEPCXNFLQTD-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
CID 61484277
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
CID 82105647
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 112726596
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 107671236
4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672862
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid (CID 60722313) is 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid is CCc1nc(COc2cc(C(=O)O)ccc2C)cs1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid?
The InChIKey is BJNPEPCXNFLQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-13-15-11(8-19-13)7-18-12-6-10(14(16)17)5-4-9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid?
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid has a molecular weight of 277.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 60722313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).