2-(4-chlorophenoxy)-1,3-benzothiazole

C13H8ClNOS — CID 11837172

IUPAC2-(4-chlorophenoxy)-1,3-benzothiazole
SMILESClc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H
InChIKeyFCPFYMHOOJYNPK-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.74
Rot. Bonds2

About 2-(4-chlorophenoxy)-1,3-benzothiazole

2-(4-chlorophenoxy)-1,3-benzothiazole (PubChem CID 11837172) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,3-benzothiazole
PubChem CID11837172
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name2-(4-chlorophenoxy)-1,3-benzothiazole
SMILESClc1ccc(Oc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H
InChIKeyFCPFYMHOOJYNPK-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1,3-benzothiazole?
The IUPAC name of 2-(4-chlorophenoxy)-1,3-benzothiazole (CID 11837172) is 2-(4-chlorophenoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,3-benzothiazole?
The canonical SMILES for 2-(4-chlorophenoxy)-1,3-benzothiazole is Clc1ccc(Oc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1,3-benzothiazole?
The InChIKey is FCPFYMHOOJYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H.
What are the key properties of 2-(4-chlorophenoxy)-1,3-benzothiazole?
2-(4-chlorophenoxy)-1,3-benzothiazole has a molecular weight of 261.73 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,3-benzothiazole is sourced from PubChem (CID 11837172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).