2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole

C12H2F9NOS — CID 59782189

IUPAC2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESFC(F)(F)c1cc2c(o1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12
InChIInChI=1S/C12H2F9NOS/c13-10(14,15)4-2-5-7(22-9(24-5)12(19,20)21)3-1-6(11(16,17)18)23-8(3)4/h1-2H
InChIKeyIDWGCRLSIHGZIR-UHFFFAOYSA-N
MW379.20 g/mol
LogP6.10
Rot. Bonds

About 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole

2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (PubChem CID 59782189) has the molecular formula C12H2F9NOS and a molecular weight of 379.20 g/mol. Its IUPAC name is 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
PubChem CID59782189
Molecular FormulaC12H2F9NOS
Molecular Weight379.20 g/mol
Exact Mass378.97
IUPAC Name2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
SMILESFC(F)(F)c1cc2c(o1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12
InChIInChI=1S/C12H2F9NOS/c13-10(14,15)4-2-5-7(22-9(24-5)12(19,20)21)3-1-6(11(16,17)18)23-8(3)4/h1-2H
InChIKeyIDWGCRLSIHGZIR-UHFFFAOYSA-N
XLogP6.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.20
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The IUPAC name of 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole (CID 59782189) is 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is FC(F)(F)c1cc2c(o1)c(C(F)(F)F)cc1sc(C(F)(F)F)nc12.
What is the InChIKey of 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
The InChIKey is IDWGCRLSIHGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F9NOS/c13-10(14,15)4-2-5-7(22-9(24-5)12(19,20)21)3-1-6(11(16,17)18)23-8(3)4/h1-2H.
What are the key properties of 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole?
2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole has a molecular weight of 379.20 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-tris(trifluoromethyl)furo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 59782189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).