2-phenoxy-1,3-benzothiazole

C13H9NOS — CID 779423

IUPAC2-phenoxy-1,3-benzothiazole
SMILESc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H9NOS/c1-2-6-10(7-3-1)15-13-14-11-8-4-5-9-12(11)16-13/h1-9H
InChIKeyMWTPXLULLUBAOP-UHFFFAOYSA-N
MW227.29 g/mol
LogP4.09
Rot. Bonds2

About 2-phenoxy-1,3-benzothiazole

2-phenoxy-1,3-benzothiazole (PubChem CID 779423) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-phenoxy-1,3-benzothiazole
PubChem CID779423
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-phenoxy-1,3-benzothiazole
SMILESc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H9NOS/c1-2-6-10(7-3-1)15-13-14-11-8-4-5-9-12(11)16-13/h1-9H
InChIKeyMWTPXLULLUBAOP-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1,3-benzothiazole?
The IUPAC name of 2-phenoxy-1,3-benzothiazole (CID 779423) is 2-phenoxy-1,3-benzothiazole.
What is the SMILES notation for 2-phenoxy-1,3-benzothiazole?
The canonical SMILES for 2-phenoxy-1,3-benzothiazole is c1ccc(Oc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-phenoxy-1,3-benzothiazole?
The InChIKey is MWTPXLULLUBAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c1-2-6-10(7-3-1)15-13-14-11-8-4-5-9-12(11)16-13/h1-9H.
What are the key properties of 2-phenoxy-1,3-benzothiazole?
2-phenoxy-1,3-benzothiazole has a molecular weight of 227.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1,3-benzothiazole is sourced from PubChem (CID 779423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).