4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H20F3N5O5S2 — CID 24830613

About 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 24830613) has the molecular formula C20H20F3N5O5S2 and a molecular weight of 531.54 g/mol. Its IUPAC name is 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• PubChem CID: 24830613
• Molecular Formula: C20H20F3N5O5S2
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.09
• IUPAC Name: 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• SMILES: COc1nc(S(C)(=O)=O)nc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12
• InChI: InChI=1S/C20H20F3N5O5S2/c1-33-14-13-15(26-17(25-14)35(2,31)32)34-16(24-13)27-18(29)28-8-6-19(30,7-9-28)11-4-3-5-12(10-11)20(21,22)23/h3-5,10,30H,6-9H2,1-2H3,(H,24,27,29)
• InChIKey: BTEOYOAODOFBBA-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 134.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The IUPAC name of 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 24830613) is 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The canonical SMILES for 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1nc(S(C)(=O)=O)nc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)nc12.

What is the InChIKey of 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The InChIKey is BTEOYOAODOFBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O5S2/c1-33-14-13-15(26-17(25-14)35(2,31)32)34-16(24-13)27-18(29)28-8-6-19(30,7-9-28)11-4-3-5-12(10-11)20(21,22)23/h3-5,10,30H,6-9H2,1-2H3,(H,24,27,29).

What are the key properties of 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-(7-methoxy-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24830613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).