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

C10H4F3NOS — CID 59782162

IUPAC5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESFC(F)(F)c1cc2scnc2c2ccoc12
InChIInChI=1S/C10H4F3NOS/c11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6/h1-4H
InChIKeySTHGBIGUYPERDL-UHFFFAOYSA-N
MW243.21 g/mol
LogP4.06
Rot. Bonds

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

5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (PubChem CID 59782162) has the molecular formula C10H4F3NOS and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
PubChem CID59782162
Molecular FormulaC10H4F3NOS
Molecular Weight243.21 g/mol
Exact Mass243.00
IUPAC Name5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESFC(F)(F)c1cc2scnc2c2ccoc12
InChIInChI=1S/C10H4F3NOS/c11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6/h1-4H
InChIKeySTHGBIGUYPERDL-UHFFFAOYSA-N
XLogP4.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The IUPAC name of 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (CID 59782162) is 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is FC(F)(F)c1cc2scnc2c2ccoc12.
What is the InChIKey of 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The InChIKey is STHGBIGUYPERDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NOS/c11-10(12,13)6-3-7-8(14-4-16-7)5-1-2-15-9(5)6/h1-4H.
What are the key properties of 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole has a molecular weight of 243.21 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 59782162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).