6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole

C22H10F6N2OS — CID 58028270

IUPAC6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5s4)cc3)oc2c1
InChIInChI=1S/C22H10F6N2OS/c23-21(24,25)13-5-7-15-17(9-13)31-19(29-15)11-1-3-12(4-2-11)20-30-16-8-6-14(22(26,27)28)10-18(16)32-20/h1-10H
InChIKeyAYVUWPOUTVERLL-UHFFFAOYSA-N
MW464.39 g/mol
LogP7.81
Rot. Bonds2

About 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole

6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 58028270) has the molecular formula C22H10F6N2OS and a molecular weight of 464.39 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
PubChem CID58028270
Molecular FormulaC22H10F6N2OS
Molecular Weight464.39 g/mol
Exact Mass464.04
IUPAC Name6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5s4)cc3)oc2c1
InChIInChI=1S/C22H10F6N2OS/c23-21(24,25)13-5-7-15-17(9-13)31-19(29-15)11-1-3-12(4-2-11)20-30-16-8-6-14(22(26,27)28)10-18(16)32-20/h1-10H
InChIKeyAYVUWPOUTVERLL-UHFFFAOYSA-N
XLogP7.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole (CID 58028270) is 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5s4)cc3)oc2c1.
What is the InChIKey of 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is AYVUWPOUTVERLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F6N2OS/c23-21(24,25)13-5-7-15-17(9-13)31-19(29-15)11-1-3-12(4-2-11)20-30-16-8-6-14(22(26,27)28)10-18(16)32-20/h1-10H.
What are the key properties of 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole?
6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 464.39 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 58028270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).