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

C14H15NO3S — CID 82105647

IUPAC4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
SMILESCCc1nc(CCOc2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C14H15NO3S/c1-2-13-15-11(9-19-13)7-8-18-12-5-3-10(4-6-12)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyUMGPOGAQFPEPEI-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.03
Rot. Bonds6

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

4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid (PubChem CID 82105647) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
PubChem CID82105647
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
SMILESCCc1nc(CCOc2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C14H15NO3S/c1-2-13-15-11(9-19-13)7-8-18-12-5-3-10(4-6-12)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyUMGPOGAQFPEPEI-UHFFFAOYSA-N
XLogP3.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
CID 61484277
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
CID 70106532
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410174
2-[3-(4-ethylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054905
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111276454

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid (CID 82105647) is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid is CCc1nc(CCOc2ccc(C(=O)O)cc2)cs1.
What is the InChIKey of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid?
The InChIKey is UMGPOGAQFPEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-13-15-11(9-19-13)7-8-18-12-5-3-10(4-6-12)14(16)17/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid?
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid has a molecular weight of 277.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 82105647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).