4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid

C15H17NO3S — CID 61484277

IUPAC4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
SMILESCCc1nc(COc2c(C)cc(C(=O)O)cc2C)cs1
InChIInChI=1S/C15H17NO3S/c1-4-13-16-12(8-20-13)7-19-14-9(2)5-11(15(17)18)6-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyANRKZTZRGAKSKM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.60
Rot. Bonds5

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

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid (PubChem CID 61484277) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
PubChem CID61484277
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
SMILESCCc1nc(COc2c(C)cc(C(=O)O)cc2C)cs1
InChIInChI=1S/C15H17NO3S/c1-4-13-16-12(8-20-13)7-19-14-9(2)5-11(15(17)18)6-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyANRKZTZRGAKSKM-UHFFFAOYSA-N
XLogP3.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
3,5-difluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 79880833
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
CID 82105647
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzoic acid
CID 63530518
methyl 2-[4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]-2,6-dimethylphenoxy]acetate
CID 119125595
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
(2-ethyl-1,3-thiazol-4-yl)methyl 3,3-dimethylbutanoate
CID 78842414
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 107671236

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid (CID 61484277) is 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid is CCc1nc(COc2c(C)cc(C(=O)O)cc2C)cs1.
What is the InChIKey of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid?
The InChIKey is ANRKZTZRGAKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-13-16-12(8-20-13)7-19-14-9(2)5-11(15(17)18)6-10(14)3/h5-6,8H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid?
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 61484277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).