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

C8H6FNOS — CID 119083531

IUPAC4-fluoro-7-methoxy-1,2-benzothiazole
SMILESCOc1ccc(F)c2cnsc12
InChIInChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyDXWBMJSSTCFTHC-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.44
Rot. Bonds1

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

4-fluoro-7-methoxy-1,2-benzothiazole (PubChem CID 119083531) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name4-fluoro-7-methoxy-1,2-benzothiazole
PubChem CID119083531
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name4-fluoro-7-methoxy-1,2-benzothiazole
SMILESCOc1ccc(F)c2cnsc12
InChIInChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyDXWBMJSSTCFTHC-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

7-Methoxy-3-methylbenzo[d]isothiazole
CID 13952025
7-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198765
7-Methoxybenzo[d]isothiazole
CID 13123247
7-Methoxybenzo[d]isothiazol-3-amine
CID 13123248
7-(Difluoromethoxy)benzo[d]isothiazole
CID 19384355
7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-Fluoro-1,2-benzothiazol-7-ol
CID 57485138
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
5-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064220
5-(Difluoromethoxy)benzo[d]isothiazole
CID 85681796
7-Methoxy-4-(trifluoromethyl)-1,2-benzothiazole
CID 119086449

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-1,2-benzothiazole?
The IUPAC name of 4-fluoro-7-methoxy-1,2-benzothiazole (CID 119083531) is 4-fluoro-7-methoxy-1,2-benzothiazole.
What is the SMILES notation for 4-fluoro-7-methoxy-1,2-benzothiazole?
The canonical SMILES for 4-fluoro-7-methoxy-1,2-benzothiazole is COc1ccc(F)c2cnsc12.
What is the InChIKey of 4-fluoro-7-methoxy-1,2-benzothiazole?
The InChIKey is DXWBMJSSTCFTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-11-7-3-2-6(9)5-4-10-12-8(5)7/h2-4H,1H3.
What are the key properties of 4-fluoro-7-methoxy-1,2-benzothiazole?
4-fluoro-7-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 4-fluoro-7-methoxy-1,2-benzothiazole is sourced from PubChem (CID 119083531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).