2-fluoro-6-methyl-1,3-benzothiazole

C8H6FNS — CID 23270279

IUPAC2-fluoro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(F)sc2c1
InChIInChI=1S/C8H6FNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyTXVVFXGDVSZTRI-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.74
Rot. Bonds

About 2-fluoro-6-methyl-1,3-benzothiazole

2-fluoro-6-methyl-1,3-benzothiazole (PubChem CID 23270279) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-fluoro-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-fluoro-6-methyl-1,3-benzothiazole
PubChem CID23270279
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name2-fluoro-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(F)sc2c1
InChIInChI=1S/C8H6FNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyTXVVFXGDVSZTRI-UHFFFAOYSA-N
XLogP2.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
CID 774195
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-fluoro-6-methyl-1,3-benzothiazole (CID 23270279) is 2-fluoro-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-fluoro-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-fluoro-6-methyl-1,3-benzothiazole is Cc1ccc2nc(F)sc2c1.
What is the InChIKey of 2-fluoro-6-methyl-1,3-benzothiazole?
The InChIKey is TXVVFXGDVSZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3.
What are the key properties of 2-fluoro-6-methyl-1,3-benzothiazole?
2-fluoro-6-methyl-1,3-benzothiazole has a molecular weight of 167.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 23270279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).