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

C23H15F3N6OS2 — CID 67430304

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

pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 67430304) has the molecular formula C23H15F3N6OS2 and a molecular weight of 512.54 g/mol. Its IUPAC name is pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

• Compound Name: pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
• PubChem CID: 67430304
• Molecular Formula: C23H15F3N6OS2
• Molecular Weight: 512.54 g/mol
• Exact Mass: 512.07
• IUPAC Name: pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
• SMILES: OC(c1ccccn1)(c1nccs1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
• InChI: InChI=1S/C23H15F3N6OS2/c24-23(25,26)18-7-9-29-21(32-18)31-15-5-3-4-14(12-15)16-13-30-20(35-16)22(33,19-28-10-11-34-19)17-6-1-2-8-27-17/h1-13,33H,(H,29,31,32)
• InChIKey: NPDWPYSGGWWDOM-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 96.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.54
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (CID 67430304) is pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.

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

The canonical SMILES for pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is OC(c1ccccn1)(c1nccs1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1.

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

The InChIKey is NPDWPYSGGWWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6OS2/c24-23(25,26)18-7-9-29-21(32-18)31-15-5-3-4-14(12-15)16-13-30-20(35-16)22(33,19-28-10-11-34-19)17-6-1-2-8-27-17/h1-13,33H,(H,29,31,32).

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

pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 512.54 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 67430304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).