1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol

C20H15F3N6OS — CID 67430727

About 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol

1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 67430727) has the molecular formula C20H15F3N6OS and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol
• PubChem CID: 67430727
• Molecular Formula: C20H15F3N6OS
• Molecular Weight: 444.44 g/mol
• Exact Mass: 444.10
• IUPAC Name: 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol
• SMILES: CC(O)(c1cnccn1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
• InChI: InChI=1S/C20H15F3N6OS/c1-19(30,16-11-24-7-8-25-16)17-27-10-14(31-17)12-3-2-4-13(9-12)28-18-26-6-5-15(29-18)20(21,22)23/h2-11,30H,1H3,(H,26,28,29)
• InChIKey: SUOMXHARKUIOLN-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 96.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.44
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol?

The IUPAC name of 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol (CID 67430727) is 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol.

What is the SMILES notation for 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol?

The canonical SMILES for 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol is CC(O)(c1cnccn1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1.

What is the InChIKey of 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol?

The InChIKey is SUOMXHARKUIOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6OS/c1-19(30,16-11-24-7-8-25-16)17-27-10-14(31-17)12-3-2-4-13(9-12)28-18-26-6-5-15(29-18)20(21,22)23/h2-11,30H,1H3,(H,26,28,29).

What are the key properties of 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol?

1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 444.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 67430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).