3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid

C14H9NO3S — CID 61395519

IUPAC3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1Oc1nccs1
InChIInChI=1S/C14H9NO3S/c16-13(17)11-7-9-3-1-2-4-10(9)8-12(11)18-14-15-5-6-19-14/h1-8H,(H,16,17)
InChIKeyGIDOWYPDWZGDJH-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.79
Rot. Bonds3

About 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid

3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid (PubChem CID 61395519) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
PubChem CID61395519
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1Oc1nccs1
InChIInChI=1S/C14H9NO3S/c16-13(17)11-7-9-3-1-2-4-10(9)8-12(11)18-14-15-5-6-19-14/h1-8H,(H,16,17)
InChIKeyGIDOWYPDWZGDJH-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-yloxy)naphthalen-2-ol
CID 60870488
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
3-(5-methylpyrimidin-2-yl)oxynaphthalene-2-carboxylic acid
CID 63206053
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
2-(2-chlorophenoxy)-1,3-thiazole
CID 117189206
3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
CID 61491780
3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
CID 24698009
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid
CID 58188071
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid (CID 61395519) is 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1Oc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid?
The InChIKey is GIDOWYPDWZGDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-13(17)11-7-9-3-1-2-4-10(9)8-12(11)18-14-15-5-6-19-14/h1-8H,(H,16,17).
What are the key properties of 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid?
3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 61395519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).