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

C13H13NO3S — CID 107672862

IUPAC4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
SMILESCCc1csc(Oc2ccc(C(=O)O)cc2C)n1
InChIInChI=1S/C13H13NO3S/c1-3-10-7-18-13(14-10)17-11-5-4-9(12(15)16)6-8(11)2/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyZATAZYPRXCZYHX-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.50
Rot. Bonds4

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

4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid (PubChem CID 107672862) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
PubChem CID107672862
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
SMILESCCc1csc(Oc2ccc(C(=O)O)cc2C)n1
InChIInChI=1S/C13H13NO3S/c1-3-10-7-18-13(14-10)17-11-5-4-9(12(15)16)6-8(11)2/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyZATAZYPRXCZYHX-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid (CID 107672862) is 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid is CCc1csc(Oc2ccc(C(=O)O)cc2C)n1.
What is the InChIKey of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The InChIKey is ZATAZYPRXCZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-10-7-18-13(14-10)17-11-5-4-9(12(15)16)6-8(11)2/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid has a molecular weight of 263.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid is sourced from PubChem (CID 107672862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).