2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole

C18H9F6N5S — CID 141185321

IUPAC2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4nccs4)c3)n2)cc1
InChIInChI=1S/C18H9F6N5S/c19-17(20,21)11-3-1-10(2-4-11)12-7-14(18(22,23)24)28-16(27-12)29-8-13(26-9-29)15-25-5-6-30-15/h1-9H
InChIKeyGGOOCDOZTVJJBO-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.49
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole

2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole (PubChem CID 141185321) has the molecular formula C18H9F6N5S and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole
PubChem CID141185321
Molecular FormulaC18H9F6N5S
Molecular Weight441.36 g/mol
Exact Mass441.05
IUPAC Name2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4nccs4)c3)n2)cc1
InChIInChI=1S/C18H9F6N5S/c19-17(20,21)11-3-1-10(2-4-11)12-7-14(18(22,23)24)28-16(27-12)29-8-13(26-9-29)15-25-5-6-30-15/h1-9H
InChIKeyGGOOCDOZTVJJBO-UHFFFAOYSA-N
XLogP5.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole (CID 141185321) is 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-n3cnc(-c4nccs4)c3)n2)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is GGOOCDOZTVJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N5S/c19-17(20,21)11-3-1-10(2-4-11)12-7-14(18(22,23)24)28-16(27-12)29-8-13(26-9-29)15-25-5-6-30-15/h1-9H.
What are the key properties of 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole?
2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole has a molecular weight of 441.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141185321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).