4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid

C15H17NO3S — CID 83967534

IUPAC4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESCCc1nc(CCOc2ccc(C(=O)O)cc2)sc1C
InChIInChI=1S/C15H17NO3S/c1-3-13-10(2)20-14(16-13)8-9-19-12-6-4-11(5-7-12)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyARAVJOLUPIOODM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.33
Rot. Bonds6

About 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid

4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid (PubChem CID 83967534) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
PubChem CID83967534
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESCCc1nc(CCOc2ccc(C(=O)O)cc2)sc1C
InChIInChI=1S/C15H17NO3S/c1-3-13-10(2)20-14(16-13)8-9-19-12-6-4-11(5-7-12)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyARAVJOLUPIOODM-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid (CID 83967534) is 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid is CCc1nc(CCOc2ccc(C(=O)O)cc2)sc1C.
What is the InChIKey of 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
The InChIKey is ARAVJOLUPIOODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-13-10(2)20-14(16-13)8-9-19-12-6-4-11(5-7-12)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid?
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 83967534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).