6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole

C13H7ClFNS — CID 95910631

IUPAC6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole
SMILESFc1ccccc1-c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H7ClFNS/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H
InChIKeyVVUNTSMZASDMBV-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.76
Rot. Bonds1

About 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole

6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole (PubChem CID 95910631) has the molecular formula C13H7ClFNS and a molecular weight of 263.72 g/mol. Its IUPAC name is 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole
PubChem CID95910631
Molecular FormulaC13H7ClFNS
Molecular Weight263.72 g/mol
Exact Mass263.00
IUPAC Name6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole
SMILESFc1ccccc1-c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H7ClFNS/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H
InChIKeyVVUNTSMZASDMBV-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole (CID 95910631) is 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole is Fc1ccccc1-c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole?
The InChIKey is VVUNTSMZASDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNS/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H.
What are the key properties of 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole?
6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole has a molecular weight of 263.72 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluorophenyl)-1,3-benzothiazole is sourced from PubChem (CID 95910631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).