7-fluoro-1,2-benzothiazole

C7H4FNS — CID 19387303

IUPAC7-fluoro-1,2-benzothiazole
SMILESFc1cccc2cnsc12
InChIInChI=1S/C7H4FNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyBLCKJQHQAZXAOL-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.44
Rot. Bonds

About 7-fluoro-1,2-benzothiazole

7-fluoro-1,2-benzothiazole (PubChem CID 19387303) has the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol. Its IUPAC name is 7-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name7-fluoro-1,2-benzothiazole
PubChem CID19387303
Molecular FormulaC7H4FNS
Molecular Weight153.18 g/mol
Exact Mass153.00
IUPAC Name7-fluoro-1,2-benzothiazole
SMILESFc1cccc2cnsc12
InChIInChI=1S/C7H4FNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyBLCKJQHQAZXAOL-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2-benzothiazole?
The IUPAC name of 7-fluoro-1,2-benzothiazole (CID 19387303) is 7-fluoro-1,2-benzothiazole.
What is the SMILES notation for 7-fluoro-1,2-benzothiazole?
The canonical SMILES for 7-fluoro-1,2-benzothiazole is Fc1cccc2cnsc12.
What is the InChIKey of 7-fluoro-1,2-benzothiazole?
The InChIKey is BLCKJQHQAZXAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H.
What are the key properties of 7-fluoro-1,2-benzothiazole?
7-fluoro-1,2-benzothiazole has a molecular weight of 153.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2-benzothiazole is sourced from PubChem (CID 19387303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).