6-methyl-2-phenoxy-1,3-benzothiazole

C14H11NOS — CID 44549864

IUPAC6-methyl-2-phenoxy-1,3-benzothiazole
SMILESCc1ccc2nc(Oc3ccccc3)sc2c1
InChIInChI=1S/C14H11NOS/c1-10-7-8-12-13(9-10)17-14(15-12)16-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyREKYKROSKVNCLP-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.40
Rot. Bonds2

About 6-methyl-2-phenoxy-1,3-benzothiazole

6-methyl-2-phenoxy-1,3-benzothiazole (PubChem CID 44549864) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-methyl-2-phenoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-phenoxy-1,3-benzothiazole
PubChem CID44549864
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name6-methyl-2-phenoxy-1,3-benzothiazole
SMILESCc1ccc2nc(Oc3ccccc3)sc2c1
InChIInChI=1S/C14H11NOS/c1-10-7-8-12-13(9-10)17-14(15-12)16-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyREKYKROSKVNCLP-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenoxy-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-phenoxy-1,3-benzothiazole (CID 44549864) is 6-methyl-2-phenoxy-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-phenoxy-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-phenoxy-1,3-benzothiazole is Cc1ccc2nc(Oc3ccccc3)sc2c1.
What is the InChIKey of 6-methyl-2-phenoxy-1,3-benzothiazole?
The InChIKey is REKYKROSKVNCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-10-7-8-12-13(9-10)17-14(15-12)16-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-2-phenoxy-1,3-benzothiazole?
6-methyl-2-phenoxy-1,3-benzothiazole has a molecular weight of 241.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenoxy-1,3-benzothiazole is sourced from PubChem (CID 44549864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).