6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole

C14H9F2NOS — CID 175746116

IUPAC6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole
SMILESCc1c(Oc2cc(F)cc(F)c2)ccc2cnsc12
InChIInChI=1S/C14H9F2NOS/c1-8-13(3-2-9-7-17-19-14(8)9)18-12-5-10(15)4-11(16)6-12/h2-7H,1H3
InChIKeyUVCYMUOMJHMGOR-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.68
Rot. Bonds2

About 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole

6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole (PubChem CID 175746116) has the molecular formula C14H9F2NOS and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole
PubChem CID175746116
Molecular FormulaC14H9F2NOS
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole
SMILESCc1c(Oc2cc(F)cc(F)c2)ccc2cnsc12
InChIInChI=1S/C14H9F2NOS/c1-8-13(3-2-9-7-17-19-14(8)9)18-12-5-10(15)4-11(16)6-12/h2-7H,1H3
InChIKeyUVCYMUOMJHMGOR-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-4-methoxy-1,2-benzothiazole
CID 57485130
4-(1,2-Benzoisothiazol-4-yloxy)-3-fluoroaniline
CID 68628730
4-(Difluoromethoxy)benzo[d]isothiazole
CID 76538253
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
7-(4-Fluoronaphthalen-1-yl)-6-methoxy-1,2-benzothiazole
CID 131985834
6-Methoxy-7-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
CID 131985849
(3-fluoro-2-methylphenyl) (1S)-3-(1,2-benzothiazol-7-yl)-1-methylcyclopent-2-ene-1-carboxylate
CID 132015799

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole?
The IUPAC name of 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole (CID 175746116) is 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole.
What is the SMILES notation for 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole?
The canonical SMILES for 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole is Cc1c(Oc2cc(F)cc(F)c2)ccc2cnsc12.
What is the InChIKey of 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole?
The InChIKey is UVCYMUOMJHMGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NOS/c1-8-13(3-2-9-7-17-19-14(8)9)18-12-5-10(15)4-11(16)6-12/h2-7H,1H3.
What are the key properties of 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole?
6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole has a molecular weight of 277.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenoxy)-7-methyl-1,2-benzothiazole is sourced from PubChem (CID 175746116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).