3-(1,3-thiazol-2-yloxy)naphthalen-2-ol

C13H9NO2S — CID 60870488

IUPAC3-(1,3-thiazol-2-yloxy)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1Oc1nccs1
InChIInChI=1S/C13H9NO2S/c15-11-7-9-3-1-2-4-10(9)8-12(11)16-13-14-5-6-17-13/h1-8,15H
InChIKeyGCRRXZDAVWEILN-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.79
Rot. Bonds2

About 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol

3-(1,3-thiazol-2-yloxy)naphthalen-2-ol (PubChem CID 60870488) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yloxy)naphthalen-2-ol
PubChem CID60870488
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name3-(1,3-thiazol-2-yloxy)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1Oc1nccs1
InChIInChI=1S/C13H9NO2S/c15-11-7-9-3-1-2-4-10(9)8-12(11)16-13-14-5-6-17-13/h1-8,15H
InChIKeyGCRRXZDAVWEILN-UHFFFAOYSA-N
XLogP3.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.79
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-2-yloxy)naphthalen-2-ol?
The IUPAC name of 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol (CID 60870488) is 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol is Oc1cc2ccccc2cc1Oc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol?
The InChIKey is GCRRXZDAVWEILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-11-7-9-3-1-2-4-10(9)8-12(11)16-13-14-5-6-17-13/h1-8,15H.
What are the key properties of 3-(1,3-thiazol-2-yloxy)naphthalen-2-ol?
3-(1,3-thiazol-2-yloxy)naphthalen-2-ol has a molecular weight of 243.29 g/mol, XLogP of 3.79, 2 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)naphthalen-2-ol is sourced from PubChem (CID 60870488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).