6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

C18H11FN2S — CID 90094461

IUPAC6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16/h1-11H
InChIKeyQMOVWKFHGZLJRV-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.16
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 90094461) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID90094461
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1
InChIInChI=1S/C18H11FN2S/c19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16/h1-11H
InChIKeyQMOVWKFHGZLJRV-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 90094461) is 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is QMOVWKFHGZLJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16/h1-11H.
What are the key properties of 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 306.37 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 90094461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).