1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol

C19H18F5N5OS — CID 67257310

About 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol

1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol (PubChem CID 67257310) has the molecular formula C19H18F5N5OS and a molecular weight of 459.44 g/mol. Its IUPAC name is 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol
• PubChem CID: 67257310
• Molecular Formula: C19H18F5N5OS
• Molecular Weight: 459.44 g/mol
• Exact Mass: 459.12
• IUPAC Name: 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNCC(O)C(F)F)s2)c1
• InChI: InChI=1S/C19H18F5N5OS/c1-10-4-11(14-8-27-16(31-14)9-25-7-13(30)17(20)21)6-12(5-10)28-18-26-3-2-15(29-18)19(22,23)24/h2-6,8,13,17,25,30H,7,9H2,1H3,(H,26,28,29)
• InChIKey: JKYJRHJIPKAJAJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 82.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.44
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol (CID 67257310) is 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol.

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

The canonical SMILES for 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNCC(O)C(F)F)s2)c1.

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

The InChIKey is JKYJRHJIPKAJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N5OS/c1-10-4-11(14-8-27-16(31-14)9-25-7-13(30)17(20)21)6-12(5-10)28-18-26-3-2-15(29-18)19(22,23)24/h2-6,8,13,17,25,30H,7,9H2,1H3,(H,26,28,29).

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

1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol has a molecular weight of 459.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 67257310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).