2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole

C14H10FNOS — CID 975644

IUPAC2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole
SMILESFc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2
InChIKeyGZMQQWYPROCOSE-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.01
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole

2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole (PubChem CID 975644) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole
PubChem CID975644
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole
SMILESFc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2
InChIKeyGZMQQWYPROCOSE-UHFFFAOYSA-N
XLogP4.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole (CID 975644) is 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole is Fc1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole?
The InChIKey is GZMQQWYPROCOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole?
2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole has a molecular weight of 259.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-1,3-benzothiazole is sourced from PubChem (CID 975644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).