1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

C22H22F3N5O2S — CID 67429820

About 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 67429820) has the molecular formula C22H22F3N5O2S and a molecular weight of 477.51 g/mol. Its IUPAC name is 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
• PubChem CID: 67429820
• Molecular Formula: C22H22F3N5O2S
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.14
• IUPAC Name: 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
• SMILES: OC1(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(N4CCOCC4)c3)s2)CCC1
• InChI: InChI=1S/C22H22F3N5O2S/c23-22(24,25)18-2-5-26-20(29-18)28-15-10-14(11-16(12-15)30-6-8-32-9-7-30)17-13-27-19(33-17)21(31)3-1-4-21/h2,5,10-13,31H,1,3-4,6-9H2,(H,26,28,29)
• InChIKey: ZDMMXVDOBGZACC-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 83.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 67429820) is 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

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

The canonical SMILES for 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is OC1(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(N4CCOCC4)c3)s2)CCC1.

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

The InChIKey is ZDMMXVDOBGZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2S/c23-22(24,25)18-2-5-26-20(29-18)28-15-10-14(11-16(12-15)30-6-8-32-9-7-30)17-13-27-19(33-17)21(31)3-1-4-21/h2,5,10-13,31H,1,3-4,6-9H2,(H,26,28,29).

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

1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 477.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67429820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).