5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole

C11H6F3NOS — CID 59782187

IUPAC5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESCc1cc2sc(C(F)(F)F)nc2c2ccoc12
InChIInChI=1S/C11H6F3NOS/c1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14/h2-4H,1H3
InChIKeyHKMVXXJQMFOXOJ-UHFFFAOYSA-N
MW257.24 g/mol
LogP4.37
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole

5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (PubChem CID 59782187) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
PubChem CID59782187
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESCc1cc2sc(C(F)(F)F)nc2c2ccoc12
InChIInChI=1S/C11H6F3NOS/c1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14/h2-4H,1H3
InChIKeyHKMVXXJQMFOXOJ-UHFFFAOYSA-N
XLogP4.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The IUPAC name of 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (CID 59782187) is 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is Cc1cc2sc(C(F)(F)F)nc2c2ccoc12.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The InChIKey is HKMVXXJQMFOXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c1-5-4-7-8(6-2-3-16-9(5)6)15-10(17-7)11(12,13)14/h2-4H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole has a molecular weight of 257.24 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 59782187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).