2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole

C14H10FNOS — CID 16734171

IUPAC2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc([18F])cc3)sc2c1
InChIInChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3/i15-1
InChIKeyFFMONRZWRJLZNE-HUYCHCPVSA-N
MW258.31 g/mol
LogP4.11
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole

2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole (PubChem CID 16734171) has the molecular formula C14H10FNOS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole
PubChem CID16734171
Molecular FormulaC14H10FNOS
Molecular Weight258.31 g/mol
Exact Mass258.05
IUPAC Name2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc([18F])cc3)sc2c1
InChIInChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3/i15-1
InChIKeyFFMONRZWRJLZNE-HUYCHCPVSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole (CID 16734171) is 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole is COc1ccc2nc(-c3ccc([18F])cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole?
The InChIKey is FFMONRZWRJLZNE-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3/i15-1.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole?
2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole has a molecular weight of 258.31 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 16734171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).