6-fluoro-4-methyl-1,3-benzothiazole

C8H6FNS — CID 53413085

IUPAC6-fluoro-4-methyl-1,3-benzothiazole
SMILESCc1cc(F)cc2scnc12
InChIInChI=1S/C8H6FNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3
InChIKeyVVMZVUNOMIARPO-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.74
Rot. Bonds

About 6-fluoro-4-methyl-1,3-benzothiazole

6-fluoro-4-methyl-1,3-benzothiazole (PubChem CID 53413085) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-4-methyl-1,3-benzothiazole
PubChem CID53413085
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name6-fluoro-4-methyl-1,3-benzothiazole
SMILESCc1cc(F)cc2scnc12
InChIInChI=1S/C8H6FNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3
InChIKeyVVMZVUNOMIARPO-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1,3-benzothiazole?
The IUPAC name of 6-fluoro-4-methyl-1,3-benzothiazole (CID 53413085) is 6-fluoro-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-4-methyl-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-4-methyl-1,3-benzothiazole is Cc1cc(F)cc2scnc12.
What is the InChIKey of 6-fluoro-4-methyl-1,3-benzothiazole?
The InChIKey is VVMZVUNOMIARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c1-5-2-6(9)3-7-8(5)10-4-11-7/h2-4H,1H3.
What are the key properties of 6-fluoro-4-methyl-1,3-benzothiazole?
6-fluoro-4-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 6-fluoro-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 53413085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).