2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole

C16H8F3NO2S — CID 146460726

IUPAC2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1
InChIInChI=1S/C16H8F3NO2S/c17-16(18,19)11-2-1-9-5-14(22-13(9)6-11)12-8-23-15(20-12)10-3-4-21-7-10/h1-8H
InChIKeyBLTMGXHYCPSSMD-UHFFFAOYSA-N
MW335.31 g/mol
LogP5.84
Rot. Bonds2

About 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole

2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole (PubChem CID 146460726) has the molecular formula C16H8F3NO2S and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
PubChem CID146460726
Molecular FormulaC16H8F3NO2S
Molecular Weight335.31 g/mol
Exact Mass335.02
IUPAC Name2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1
InChIInChI=1S/C16H8F3NO2S/c17-16(18,19)11-2-1-9-5-14(22-13(9)6-11)12-8-23-15(20-12)10-3-4-21-7-10/h1-8H
InChIKeyBLTMGXHYCPSSMD-UHFFFAOYSA-N
XLogP5.84
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.31
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The IUPAC name of 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole (CID 146460726) is 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole is FC(F)(F)c1ccc2cc(-c3csc(-c4ccoc4)n3)oc2c1.
What is the InChIKey of 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The InChIKey is BLTMGXHYCPSSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3NO2S/c17-16(18,19)11-2-1-9-5-14(22-13(9)6-11)12-8-23-15(20-12)10-3-4-21-7-10/h1-8H.
What are the key properties of 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole has a molecular weight of 335.31 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole is sourced from PubChem (CID 146460726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).