7-fluoro-5-methyl-1,3-benzothiazole

C8H6FNS — CID 129148981

IUPAC7-fluoro-5-methyl-1,3-benzothiazole
SMILESCc1cc(F)c2scnc2c1
InChIInChI=1S/C8H6FNS/c1-5-2-6(9)8-7(3-5)10-4-11-8/h2-4H,1H3
InChIKeyOSDCGWSHCMCQEQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.74
Rot. Bonds

About 7-fluoro-5-methyl-1,3-benzothiazole

7-fluoro-5-methyl-1,3-benzothiazole (PubChem CID 129148981) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-fluoro-5-methyl-1,3-benzothiazole
PubChem CID129148981
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name7-fluoro-5-methyl-1,3-benzothiazole
SMILESCc1cc(F)c2scnc2c1
InChIInChI=1S/C8H6FNS/c1-5-2-6(9)8-7(3-5)10-4-11-8/h2-4H,1H3
InChIKeyOSDCGWSHCMCQEQ-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 7-fluoro-5-methyl-1,3-benzothiazole?
The IUPAC name of 7-fluoro-5-methyl-1,3-benzothiazole (CID 129148981) is 7-fluoro-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-fluoro-5-methyl-1,3-benzothiazole?
The canonical SMILES for 7-fluoro-5-methyl-1,3-benzothiazole is Cc1cc(F)c2scnc2c1.
What is the InChIKey of 7-fluoro-5-methyl-1,3-benzothiazole?
The InChIKey is OSDCGWSHCMCQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c1-5-2-6(9)8-7(3-5)10-4-11-8/h2-4H,1H3.
What are the key properties of 7-fluoro-5-methyl-1,3-benzothiazole?
7-fluoro-5-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 7-fluoro-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 129148981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).