5-fluoro-6-methoxy-1,2-benzothiazole

C8H6FNOS — CID 130064220

IUPAC5-fluoro-6-methoxy-1,2-benzothiazole
SMILESCOc1cc2sncc2cc1F
InChIInChI=1S/C8H6FNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3
InChIKeyNGNOPJQBFUPJNQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.44
Rot. Bonds1

About 5-fluoro-6-methoxy-1,2-benzothiazole

5-fluoro-6-methoxy-1,2-benzothiazole (PubChem CID 130064220) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1,2-benzothiazole
PubChem CID130064220
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name5-fluoro-6-methoxy-1,2-benzothiazole
SMILESCOc1cc2sncc2cc1F
InChIInChI=1S/C8H6FNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3
InChIKeyNGNOPJQBFUPJNQ-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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Related Compounds

3-Methoxy-1,2-benzisothiazole
CID 38736
1,2-Benzisothiazol-6-ol
CID 135742002
N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
CID 511722
5,6-Dimethoxy-benzo[d]isothiazole
CID 13270220
7-Methoxybenzo[d]isothiazole
CID 13123247
7-(Difluoromethoxy)benzo[d]isothiazole
CID 19384355
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
7-Bromo-5-fluoro-6-methoxy-1,2-benzothiazole
CID 131985770
4-(4-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985790
4-(5-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985793

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1,2-benzothiazole?
The IUPAC name of 5-fluoro-6-methoxy-1,2-benzothiazole (CID 130064220) is 5-fluoro-6-methoxy-1,2-benzothiazole.
What is the SMILES notation for 5-fluoro-6-methoxy-1,2-benzothiazole?
The canonical SMILES for 5-fluoro-6-methoxy-1,2-benzothiazole is COc1cc2sncc2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-1,2-benzothiazole?
The InChIKey is NGNOPJQBFUPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-11-7-3-8-5(2-6(7)9)4-10-12-8/h2-4H,1H3.
What are the key properties of 5-fluoro-6-methoxy-1,2-benzothiazole?
5-fluoro-6-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 5-fluoro-6-methoxy-1,2-benzothiazole is sourced from PubChem (CID 130064220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).