6-fluoro-3,5-dimethyl-1,2-benzothiazole

C9H8FNS — CID 18683310

IUPAC6-fluoro-3,5-dimethyl-1,2-benzothiazole
SMILESCc1cc2c(C)nsc2cc1F
InChIInChI=1S/C9H8FNS/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3
InChIKeySFAZRIGBQOKHSQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP3.05
Rot. Bonds

About 6-fluoro-3,5-dimethyl-1,2-benzothiazole

6-fluoro-3,5-dimethyl-1,2-benzothiazole (PubChem CID 18683310) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethyl-1,2-benzothiazole.

Molecular Properties

Compound Name6-fluoro-3,5-dimethyl-1,2-benzothiazole
PubChem CID18683310
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name6-fluoro-3,5-dimethyl-1,2-benzothiazole
SMILESCc1cc2c(C)nsc2cc1F
InChIInChI=1S/C9H8FNS/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3
InChIKeySFAZRIGBQOKHSQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Benzisothiazole, 3-methyl-
CID 80321
1,2-Benzothiazole-3-carbonitrile
CID 13571137
1,2-Benzisothiazole-3-acetonitrile
CID 821891
3-(Bromomethyl)-1,2-benzothiazole
CID 10609370
5-Methylbenzo[d]isothiazol-3-amine
CID 184564
3-Phenyl-1,2-benzisothiazole
CID 337917
3-[4-(Trifluoromethyl)phenyl]-1,2-benzothiazole
CID 76546011
3-Fluoro-1,2-benzothiazole
CID 129816468
2-(1,2-Benzothiazol-3-yl)ethan-1-amine
CID 10375969
(1,2-Benzothiazol-3-yl)methanamine hydrochloride
CID 122156687
5,6,7,8-Tetrafluoro-3-methylnaphtho[2,3-d]isothiazole
CID 129852897
5-Fluoro-3-phenyl-1,2-benzothiazole
CID 132566226

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dimethyl-1,2-benzothiazole?
The IUPAC name of 6-fluoro-3,5-dimethyl-1,2-benzothiazole (CID 18683310) is 6-fluoro-3,5-dimethyl-1,2-benzothiazole.
What is the SMILES notation for 6-fluoro-3,5-dimethyl-1,2-benzothiazole?
The canonical SMILES for 6-fluoro-3,5-dimethyl-1,2-benzothiazole is Cc1cc2c(C)nsc2cc1F.
What is the InChIKey of 6-fluoro-3,5-dimethyl-1,2-benzothiazole?
The InChIKey is SFAZRIGBQOKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-5-3-7-6(2)11-12-9(7)4-8(5)10/h3-4H,1-2H3.
What are the key properties of 6-fluoro-3,5-dimethyl-1,2-benzothiazole?
6-fluoro-3,5-dimethyl-1,2-benzothiazole has a molecular weight of 181.23 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dimethyl-1,2-benzothiazole is sourced from PubChem (CID 18683310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).