3-fluoro-2,1-benzothiazole

C7H4FNS — CID 150636202

IUPAC3-fluoro-2,1-benzothiazole
SMILESFc1snc2ccccc12
InChIInChI=1S/C7H4FNS/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChIKeyIYYCIFQXBUFTHB-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.44
Rot. Bonds

About 3-fluoro-2,1-benzothiazole

3-fluoro-2,1-benzothiazole (PubChem CID 150636202) has the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-fluoro-2,1-benzothiazole.

Molecular Properties

Compound Name3-fluoro-2,1-benzothiazole
PubChem CID150636202
Molecular FormulaC7H4FNS
Molecular Weight153.18 g/mol
Exact Mass153.00
IUPAC Name3-fluoro-2,1-benzothiazole
SMILESFc1snc2ccccc12
InChIInChI=1S/C7H4FNS/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChIKeyIYYCIFQXBUFTHB-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 3-fluoro-2,1-benzothiazole?
The IUPAC name of 3-fluoro-2,1-benzothiazole (CID 150636202) is 3-fluoro-2,1-benzothiazole.
What is the SMILES notation for 3-fluoro-2,1-benzothiazole?
The canonical SMILES for 3-fluoro-2,1-benzothiazole is Fc1snc2ccccc12.
What is the InChIKey of 3-fluoro-2,1-benzothiazole?
The InChIKey is IYYCIFQXBUFTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNS/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H.
What are the key properties of 3-fluoro-2,1-benzothiazole?
3-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 3-fluoro-2,1-benzothiazole is sourced from PubChem (CID 150636202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).