3-(1,3-thiazol-4-ylmethoxy)benzoic acid

C11H9NO3S — CID 7131861

IUPAC3-(1,3-thiazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14)
InChIKeyIMILYUBILRHRBV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.42
Rot. Bonds4

About 3-(1,3-thiazol-4-ylmethoxy)benzoic acid

3-(1,3-thiazol-4-ylmethoxy)benzoic acid (PubChem CID 7131861) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethoxy)benzoic acid
PubChem CID7131861
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name3-(1,3-thiazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14)
InChIKeyIMILYUBILRHRBV-UHFFFAOYSA-N
XLogP2.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The IUPAC name of 3-(1,3-thiazol-4-ylmethoxy)benzoic acid (CID 7131861) is 3-(1,3-thiazol-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethoxy)benzoic acid is O=C(O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The InChIKey is IMILYUBILRHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14).
What are the key properties of 3-(1,3-thiazol-4-ylmethoxy)benzoic acid?
3-(1,3-thiazol-4-ylmethoxy)benzoic acid has a molecular weight of 235.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 7131861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).