6-(3-chlorophenyl)-1,3-benzothiazole

C13H8ClNS — CID 166918051

IUPAC6-(3-chlorophenyl)-1,3-benzothiazole
SMILESClc1cccc(-c2ccc3ncsc3c2)c1
InChIInChI=1S/C13H8ClNS/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h1-8H
InChIKeyGNNCCPKTFFXICB-UHFFFAOYSA-N
MW245.73 g/mol
LogP4.62
Rot. Bonds1

About 6-(3-chlorophenyl)-1,3-benzothiazole

6-(3-chlorophenyl)-1,3-benzothiazole (PubChem CID 166918051) has the molecular formula C13H8ClNS and a molecular weight of 245.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1,3-benzothiazole
PubChem CID166918051
Molecular FormulaC13H8ClNS
Molecular Weight245.73 g/mol
Exact Mass245.01
IUPAC Name6-(3-chlorophenyl)-1,3-benzothiazole
SMILESClc1cccc(-c2ccc3ncsc3c2)c1
InChIInChI=1S/C13H8ClNS/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h1-8H
InChIKeyGNNCCPKTFFXICB-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1,3-benzothiazole?
The IUPAC name of 6-(3-chlorophenyl)-1,3-benzothiazole (CID 166918051) is 6-(3-chlorophenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-(3-chlorophenyl)-1,3-benzothiazole?
The canonical SMILES for 6-(3-chlorophenyl)-1,3-benzothiazole is Clc1cccc(-c2ccc3ncsc3c2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1,3-benzothiazole?
The InChIKey is GNNCCPKTFFXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNS/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h1-8H.
What are the key properties of 6-(3-chlorophenyl)-1,3-benzothiazole?
6-(3-chlorophenyl)-1,3-benzothiazole has a molecular weight of 245.73 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1,3-benzothiazole is sourced from PubChem (CID 166918051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).