6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane

C11H13ClFNOS — CID 178049195

IUPAC6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.COc1cc(Cl)c(F)c2sc(C)nc12
InChIInChI=1S/C9H7ClFNOS.C2H6/c1-4-12-8-6(13-2)3-5(10)7(11)9(8)14-4;1-2/h3H,1-2H3;1-2H3
InChIKeyFYPWCAIZXCYNOU-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.43
Rot. Bonds1

About 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane

6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane (PubChem CID 178049195) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
PubChem CID178049195
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.COc1cc(Cl)c(F)c2sc(C)nc12
InChIInChI=1S/C9H7ClFNOS.C2H6/c1-4-12-8-6(13-2)3-5(10)7(11)9(8)14-4;1-2/h3H,1-2H3;1-2H3
InChIKeyFYPWCAIZXCYNOU-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
CID 178048806
6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063292
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
4-chloro-2,3-difluoro-6-methoxyaniline
CID 170781389
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049165
6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049247

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The IUPAC name of 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane (CID 178049195) is 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The canonical SMILES for 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane is CC.COc1cc(Cl)c(F)c2sc(C)nc12.
What is the InChIKey of 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The InChIKey is FYPWCAIZXCYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNOS.C2H6/c1-4-12-8-6(13-2)3-5(10)7(11)9(8)14-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane has a molecular weight of 261.75 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).