3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol

C16H16N2O2S — CID 65274814

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol
SMILESCC(C)(C)c1nsc(Oc2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H16N2O2S/c1-16(2,3)14-17-15(21-18-14)20-13-9-11-7-5-4-6-10(11)8-12(13)19/h4-9,19H,1-3H3
InChIKeyDZCLICUNPMKQNJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.49
Rot. Bonds2

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol (PubChem CID 65274814) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol
PubChem CID65274814
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol
SMILESCC(C)(C)c1nsc(Oc2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H16N2O2S/c1-16(2,3)14-17-15(21-18-14)20-13-9-11-7-5-4-6-10(11)8-12(13)19/h4-9,19H,1-3H3
InChIKeyDZCLICUNPMKQNJ-UHFFFAOYSA-N
XLogP4.49
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol (CID 65274814) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol is CC(C)(C)c1nsc(Oc2cc3ccccc3cc2O)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol?
The InChIKey is DZCLICUNPMKQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(2,3)14-17-15(21-18-14)20-13-9-11-7-5-4-6-10(11)8-12(13)19/h4-9,19H,1-3H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol has a molecular weight of 300.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]naphthalen-2-ol is sourced from PubChem (CID 65274814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).