5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole

C20H10F6N2S2 — CID 86081918

IUPAC5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C20H10F6N2S2/c21-19(22,23)13-5-1-11(2-6-13)15-9-27-17(29-15)18-28-10-16(30-18)12-3-7-14(8-4-12)20(24,25)26/h1-10H
InChIKeyZILRPQCGARGAAN-UHFFFAOYSA-N
MW456.44 g/mol
LogP7.64
Rot. Bonds3

About 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole

5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole (PubChem CID 86081918) has the molecular formula C20H10F6N2S2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole
PubChem CID86081918
Molecular FormulaC20H10F6N2S2
Molecular Weight456.44 g/mol
Exact Mass456.02
IUPAC Name5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cnc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)s2)cc1
InChIInChI=1S/C20H10F6N2S2/c21-19(22,23)13-5-1-11(2-6-13)15-9-27-17(29-15)18-28-10-16(30-18)12-3-7-14(8-4-12)20(24,25)26/h1-10H
InChIKeyZILRPQCGARGAAN-UHFFFAOYSA-N
XLogP7.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole (CID 86081918) is 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole is FC(F)(F)c1ccc(-c2cnc(-c3ncc(-c4ccc(C(F)(F)F)cc4)s3)s2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole?
The InChIKey is ZILRPQCGARGAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2S2/c21-19(22,23)13-5-1-11(2-6-13)15-9-27-17(29-15)18-28-10-16(30-18)12-3-7-14(8-4-12)20(24,25)26/h1-10H.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole?
5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole has a molecular weight of 456.44 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 86081918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).