5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole

C11H11N3OS — CID 116820223

IUPAC5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole
SMILESc1cc2c(cc1Oc1nnns1)CCCC2
InChIInChI=1S/C11H11N3OS/c1-2-4-9-7-10(6-5-8(9)3-1)15-11-12-13-14-16-11/h5-7H,1-4H2
InChIKeyFOCKJUVCEMDUMA-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.60
Rot. Bonds2

About 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole

5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole (PubChem CID 116820223) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole
PubChem CID116820223
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole
SMILESc1cc2c(cc1Oc1nnns1)CCCC2
InChIInChI=1S/C11H11N3OS/c1-2-4-9-7-10(6-5-8(9)3-1)15-11-12-13-14-16-11/h5-7H,1-4H2
InChIKeyFOCKJUVCEMDUMA-UHFFFAOYSA-N
XLogP2.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole (CID 116820223) is 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole is c1cc2c(cc1Oc1nnns1)CCCC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole?
The InChIKey is FOCKJUVCEMDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-4-9-7-10(6-5-8(9)3-1)15-11-12-13-14-16-11/h5-7H,1-4H2.
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole?
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole has a molecular weight of 233.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)thiatriazole is sourced from PubChem (CID 116820223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).