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

C9H8FNS — CID 130064247

IUPAC4-ethyl-7-fluoro-1,2-benzothiazole
SMILESCCc1ccc(F)c2sncc12
InChIInChI=1S/C9H8FNS/c1-2-6-3-4-8(10)9-7(6)5-11-12-9/h3-5H,2H2,1H3
InChIKeyFKOMIADDQHZINS-UHFFFAOYSA-N
MW181.23 g/mol
LogP3.00
Rot. Bonds1

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

4-ethyl-7-fluoro-1,2-benzothiazole (PubChem CID 130064247) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name4-ethyl-7-fluoro-1,2-benzothiazole
PubChem CID130064247
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name4-ethyl-7-fluoro-1,2-benzothiazole
SMILESCCc1ccc(F)c2sncc12
InChIInChI=1S/C9H8FNS/c1-2-6-3-4-8(10)9-7(6)5-11-12-9/h3-5H,2H2,1H3
InChIKeyFKOMIADDQHZINS-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-7-fluoro-1,2-benzothiazole
CID 130064258
2-(chloromethyl)-4-ethyl-7-fluoro-1-benzothiophene
CID 130885296
5-chloro-4-ethyl-1,2-thiazole
CID 90447788
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
4-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131195859
3-ethyl-6-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131076578
5-ethyl-2-fluoro-1-methylnaphthalene
CID 172577090
2-ethyl-1,4-difluorobenzene
CID 23202513
4-ethyl-5-methyl-1,2-benzothiazole
CID 130064139
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594
6-ethyl-5-fluoroisoquinoline
CID 67950448
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-1,2-benzothiazole?
The IUPAC name of 4-ethyl-7-fluoro-1,2-benzothiazole (CID 130064247) is 4-ethyl-7-fluoro-1,2-benzothiazole.
What is the SMILES notation for 4-ethyl-7-fluoro-1,2-benzothiazole?
The canonical SMILES for 4-ethyl-7-fluoro-1,2-benzothiazole is CCc1ccc(F)c2sncc12.
What is the InChIKey of 4-ethyl-7-fluoro-1,2-benzothiazole?
The InChIKey is FKOMIADDQHZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-2-6-3-4-8(10)9-7(6)5-11-12-9/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-7-fluoro-1,2-benzothiazole?
4-ethyl-7-fluoro-1,2-benzothiazole has a molecular weight of 181.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-1,2-benzothiazole is sourced from PubChem (CID 130064247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).