6-fluoro-1,3-benzothiazole

C7H4FNS — CID 10534958

IUPAC6-fluoro-1,3-benzothiazole
SMILESFc1ccc2ncsc2c1
InChIInChI=1S/C7H4FNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKeyBGSRFMFTXMPTSC-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.44
Rot. Bonds

About 6-fluoro-1,3-benzothiazole

6-fluoro-1,3-benzothiazole (PubChem CID 10534958) has the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-1,3-benzothiazole
PubChem CID10534958
Molecular FormulaC7H4FNS
Molecular Weight153.18 g/mol
Exact Mass153.00
IUPAC Name6-fluoro-1,3-benzothiazole
SMILESFc1ccc2ncsc2c1
InChIInChI=1S/C7H4FNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKeyBGSRFMFTXMPTSC-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

Analyze 6-fluoro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzothiazole?
The IUPAC name of 6-fluoro-1,3-benzothiazole (CID 10534958) is 6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-1,3-benzothiazole is Fc1ccc2ncsc2c1.
What is the InChIKey of 6-fluoro-1,3-benzothiazole?
The InChIKey is BGSRFMFTXMPTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H.
What are the key properties of 6-fluoro-1,3-benzothiazole?
6-fluoro-1,3-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 6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 10534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).