4-fluoro-7-methyl-1,2-benzothiazole

C8H6FNS — CID 130064180

IUPAC4-fluoro-7-methyl-1,2-benzothiazole
SMILESCc1ccc(F)c2cnsc12
InChIInChI=1S/C8H6FNS/c1-5-2-3-7(9)6-4-10-11-8(5)6/h2-4H,1H3
InChIKeyATSXSWURBXHXTD-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.74
Rot. Bonds

About 4-fluoro-7-methyl-1,2-benzothiazole

4-fluoro-7-methyl-1,2-benzothiazole (PubChem CID 130064180) has the molecular formula C8H6FNS and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name4-fluoro-7-methyl-1,2-benzothiazole
PubChem CID130064180
Molecular FormulaC8H6FNS
Molecular Weight167.21 g/mol
Exact Mass167.02
IUPAC Name4-fluoro-7-methyl-1,2-benzothiazole
SMILESCc1ccc(F)c2cnsc12
InChIInChI=1S/C8H6FNS/c1-5-2-3-7(9)6-4-10-11-8(5)6/h2-4H,1H3
InChIKeyATSXSWURBXHXTD-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 4-fluoro-7-methyl-1,2-benzothiazole?
The IUPAC name of 4-fluoro-7-methyl-1,2-benzothiazole (CID 130064180) is 4-fluoro-7-methyl-1,2-benzothiazole.
What is the SMILES notation for 4-fluoro-7-methyl-1,2-benzothiazole?
The canonical SMILES for 4-fluoro-7-methyl-1,2-benzothiazole is Cc1ccc(F)c2cnsc12.
What is the InChIKey of 4-fluoro-7-methyl-1,2-benzothiazole?
The InChIKey is ATSXSWURBXHXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNS/c1-5-2-3-7(9)6-4-10-11-8(5)6/h2-4H,1H3.
What are the key properties of 4-fluoro-7-methyl-1,2-benzothiazole?
4-fluoro-7-methyl-1,2-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 4-fluoro-7-methyl-1,2-benzothiazole is sourced from PubChem (CID 130064180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).