2-(phenoxymethyl)-1,3-benzothiazole

C14H11NOS — CID 700590

IUPAC2-(phenoxymethyl)-1,3-benzothiazole
SMILESc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H11NOS/c1-2-6-11(7-3-1)16-10-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyUVYFAHWMIBGHMU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.88
Rot. Bonds3

About 2-(phenoxymethyl)-1,3-benzothiazole

2-(phenoxymethyl)-1,3-benzothiazole (PubChem CID 700590) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1,3-benzothiazole
PubChem CID700590
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name2-(phenoxymethyl)-1,3-benzothiazole
SMILESc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H11NOS/c1-2-6-11(7-3-1)16-10-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChIKeyUVYFAHWMIBGHMU-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1,3-benzothiazole?
The IUPAC name of 2-(phenoxymethyl)-1,3-benzothiazole (CID 700590) is 2-(phenoxymethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(phenoxymethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(phenoxymethyl)-1,3-benzothiazole is c1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-1,3-benzothiazole?
The InChIKey is UVYFAHWMIBGHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-2-6-11(7-3-1)16-10-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2.
What are the key properties of 2-(phenoxymethyl)-1,3-benzothiazole?
2-(phenoxymethyl)-1,3-benzothiazole has a molecular weight of 241.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1,3-benzothiazole is sourced from PubChem (CID 700590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).