4-fluoro-2,1-benzothiazole

C7H4FNS — CID 172621836

IUPAC4-fluoro-2,1-benzothiazole
SMILESFc1cccc2nscc12
InChIInChI=1S/C7H4FNS/c8-6-2-1-3-7-5(6)4-10-9-7/h1-4H
InChIKeySJFFWSOIIFCHBJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.44
Rot. Bonds

About 4-fluoro-2,1-benzothiazole

4-fluoro-2,1-benzothiazole (PubChem CID 172621836) has the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-fluoro-2,1-benzothiazole.

Molecular Properties

Compound Name4-fluoro-2,1-benzothiazole
PubChem CID172621836
Molecular FormulaC7H4FNS
Molecular Weight153.18 g/mol
Exact Mass153.00
IUPAC Name4-fluoro-2,1-benzothiazole
SMILESFc1cccc2nscc12
InChIInChI=1S/C7H4FNS/c8-6-2-1-3-7-5(6)4-10-9-7/h1-4H
InChIKeySJFFWSOIIFCHBJ-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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Related Compounds

2,1-Benzisothiazole, 3-methyl-
CID 529491
2,1-Benzothiazol-3-amine
CID 12293058
6-Bromo-2,1-benzothiazole
CID 57375634
5-Nitro-2,1-benzisothiazole
CID 9989837
3-Chloro-2,1-benzothiazole
CID 12210645
5-Bromo-2,1-benzothiazole
CID 17750112
3-Bromo-2,1-benzothiazole
CID 20355315
Benzo[c]isothiazole
CID 638008
4-Bromo-2,1-benzothiazole
CID 53484539
2,1-Benzothiazol-7-amine
CID 69565634
6-Aminobenzo[c]isothiazole
CID 91133847
3-Fluoro-1,2-benzothiazole
CID 129816468

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,1-benzothiazole?
The IUPAC name of 4-fluoro-2,1-benzothiazole (CID 172621836) is 4-fluoro-2,1-benzothiazole.
What is the SMILES notation for 4-fluoro-2,1-benzothiazole?
The canonical SMILES for 4-fluoro-2,1-benzothiazole is Fc1cccc2nscc12.
What is the InChIKey of 4-fluoro-2,1-benzothiazole?
The InChIKey is SJFFWSOIIFCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNS/c8-6-2-1-3-7-5(6)4-10-9-7/h1-4H.
What are the key properties of 4-fluoro-2,1-benzothiazole?
4-fluoro-2,1-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 4-fluoro-2,1-benzothiazole is sourced from PubChem (CID 172621836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).