4-(1,3-thiazol-2-yloxy)benzoic acid

C10H7NO3S — CID 12785118

IUPAC4-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C10H7NO3S/c12-9(13)7-1-3-8(4-2-7)14-10-11-5-6-15-10/h1-6H,(H,12,13)
InChIKeyKITFLUYWYOYCSF-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.63
Rot. Bonds3

About 4-(1,3-thiazol-2-yloxy)benzoic acid

4-(1,3-thiazol-2-yloxy)benzoic acid (PubChem CID 12785118) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yloxy)benzoic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yloxy)benzoic acid
PubChem CID12785118
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name4-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C10H7NO3S/c12-9(13)7-1-3-8(4-2-7)14-10-11-5-6-15-10/h1-6H,(H,12,13)
InChIKeyKITFLUYWYOYCSF-UHFFFAOYSA-N
XLogP2.63
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yloxy)benzoic acid?
The IUPAC name of 4-(1,3-thiazol-2-yloxy)benzoic acid (CID 12785118) is 4-(1,3-thiazol-2-yloxy)benzoic acid.
What is the SMILES notation for 4-(1,3-thiazol-2-yloxy)benzoic acid?
The canonical SMILES for 4-(1,3-thiazol-2-yloxy)benzoic acid is O=C(O)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yloxy)benzoic acid?
The InChIKey is KITFLUYWYOYCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-9(13)7-1-3-8(4-2-7)14-10-11-5-6-15-10/h1-6H,(H,12,13).
What are the key properties of 4-(1,3-thiazol-2-yloxy)benzoic acid?
4-(1,3-thiazol-2-yloxy)benzoic acid has a molecular weight of 221.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yloxy)benzoic acid is sourced from PubChem (CID 12785118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).