1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

C18H16F3N5OS — CID 86291363

About 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 86291363) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
• PubChem CID: 86291363
• Molecular Formula: C18H16F3N5OS
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.10
• IUPAC Name: 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC3)s2)n1
• InChI: InChI=1S/C18H16F3N5OS/c1-10-7-11(25-16-22-6-3-14(26-16)18(19,20)21)8-12(24-10)13-9-23-15(28-13)17(27)4-2-5-17/h3,6-9,27H,2,4-5H2,1H3,(H,22,24,25,26)
• InChIKey: YWDZFBRPTMCBOW-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 83.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?

The IUPAC name of 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 86291363) is 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

What is the SMILES notation for 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?

The canonical SMILES for 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC3)s2)n1.

What is the InChIKey of 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?

The InChIKey is YWDZFBRPTMCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c1-10-7-11(25-16-22-6-3-14(26-16)18(19,20)21)8-12(24-10)13-9-23-15(28-13)17(27)4-2-5-17/h3,6-9,27H,2,4-5H2,1H3,(H,22,24,25,26).

What are the key properties of 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?

1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 407.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 86291363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).