7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole

C18H12FNOS — CID 131985834

IUPAC7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole
SMILESCOc1ccc2cnsc2c1-c1ccc(F)c2ccccc12
InChIInChI=1S/C18H12FNOS/c1-21-16-9-6-11-10-20-22-18(11)17(16)14-7-8-15(19)13-5-3-2-4-12(13)14/h2-10H,1H3
InChIKeyWWVIHWZALLVRBF-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.26
Rot. Bonds2

About 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole

7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole (PubChem CID 131985834) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole
PubChem CID131985834
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole
SMILESCOc1ccc2cnsc2c1-c1ccc(F)c2ccccc12
InChIInChI=1S/C18H12FNOS/c1-21-16-9-6-11-10-20-22-18(11)17(16)14-7-8-15(19)13-5-3-2-4-12(13)14/h2-10H,1H3
InChIKeyWWVIHWZALLVRBF-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-(3-Fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
CID 57800596
4-(3-Fluoro-4-methoxyphenyl)-5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazole
CID 68058656
4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
5-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064220
4-(4-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985790
4-(5-Fluoro-6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985793
6-Methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole
CID 131985815
2-Fluoro-4-(6-methoxy-1,2-benzothiazol-7-yl)benzonitrile
CID 131985823
6-Methoxy-7-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
CID 131985849
[4-(1,2-Benzothiazol-7-yl)-3-fluoro-2-methylphenyl] cyclopent-2-ene-1-carboxylate
CID 140814636
O-[[7-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]] N,N-dimethylcarbamothioate
CID 142739244

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole?
The IUPAC name of 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole (CID 131985834) is 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole.
What is the SMILES notation for 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole?
The canonical SMILES for 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole is COc1ccc2cnsc2c1-c1ccc(F)c2ccccc12.
What is the InChIKey of 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole?
The InChIKey is WWVIHWZALLVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNOS/c1-21-16-9-6-11-10-20-22-18(11)17(16)14-7-8-15(19)13-5-3-2-4-12(13)14/h2-10H,1H3.
What are the key properties of 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole?
7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole has a molecular weight of 309.37 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole is sourced from PubChem (CID 131985834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).