7-fluoro-4-methoxy-1,2-benzothiazole

C8H6FNOS — CID 57485130

IUPAC7-fluoro-4-methoxy-1,2-benzothiazole
SMILESCOc1ccc(F)c2sncc12
InChIInChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)8-5(7)4-10-12-8/h2-4H,1H3
InChIKeyAPRCXOGCHZXUNW-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.44
Rot. Bonds1

About 7-fluoro-4-methoxy-1,2-benzothiazole

7-fluoro-4-methoxy-1,2-benzothiazole (PubChem CID 57485130) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name7-fluoro-4-methoxy-1,2-benzothiazole
PubChem CID57485130
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name7-fluoro-4-methoxy-1,2-benzothiazole
SMILESCOc1ccc(F)c2sncc12
InChIInChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)8-5(7)4-10-12-8/h2-4H,1H3
InChIKeyAPRCXOGCHZXUNW-UHFFFAOYSA-N
XLogP2.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-1,2-benzothiazole?
The IUPAC name of 7-fluoro-4-methoxy-1,2-benzothiazole (CID 57485130) is 7-fluoro-4-methoxy-1,2-benzothiazole.
What is the SMILES notation for 7-fluoro-4-methoxy-1,2-benzothiazole?
The canonical SMILES for 7-fluoro-4-methoxy-1,2-benzothiazole is COc1ccc(F)c2sncc12.
What is the InChIKey of 7-fluoro-4-methoxy-1,2-benzothiazole?
The InChIKey is APRCXOGCHZXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)8-5(7)4-10-12-8/h2-4H,1H3.
What are the key properties of 7-fluoro-4-methoxy-1,2-benzothiazole?
7-fluoro-4-methoxy-1,2-benzothiazole has a molecular weight of 183.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-1,2-benzothiazole is sourced from PubChem (CID 57485130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).