furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C9H4F3NO2S — CID 106782471

IUPACfuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyATOWJNUAYOCKQG-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.99
Rot. Bonds2

About furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782471) has the molecular formula C9H4F3NO2S and a molecular weight of 247.20 g/mol. Its IUPAC name is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782471
Molecular FormulaC9H4F3NO2S
Molecular Weight247.20 g/mol
Exact Mass246.99
IUPAC Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyATOWJNUAYOCKQG-UHFFFAOYSA-N
XLogP2.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782471) is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ATOWJNUAYOCKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4H.
What are the key properties of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 247.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).