5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole

C14H10FNOS — CID 11521752

IUPAC5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3
InChIKeyVPAPEQRUYCKICF-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.11
Rot. Bonds2

About 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole

5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole (PubChem CID 11521752) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole
PubChem CID11521752
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3
InChIKeyVPAPEQRUYCKICF-UHFFFAOYSA-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 ≤ 500259.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole (CID 11521752) is 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole is COc1ccc(-c2nc3cc(F)ccc3s2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is VPAPEQRUYCKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3.
What are the key properties of 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole?
5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole has a molecular weight of 259.31 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 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 11521752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).