3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

C23H24F3N5O2S — CID 138374923

About 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 138374923) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• PubChem CID: 138374923
• Molecular Formula: C23H24F3N5O2S
• Molecular Weight: 491.54 g/mol
• Exact Mass: 491.16
• IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(O[C@@H]3CCCNC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C23H24F3N5O2S/c1-13-9-28-21(34-13)16-6-15(7-19(8-16)33-18-4-3-5-27-12-18)20(32)31-14(2)17-10-29-22(30-11-17)23(24,25)26/h6-11,14,18,27H,3-5,12H2,1-2H3,(H,31,32)/t14-,18-/m1/s1
• InChIKey: YIMSHVDFMHXVTO-RDTXWAMCSA-N
• XLogP: 4.55
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide (CID 138374923) is 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is Cc1cnc(-c2cc(O[C@@H]3CCCNC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.

What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

The InChIKey is YIMSHVDFMHXVTO-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c1-13-9-28-21(34-13)16-6-15(7-19(8-16)33-18-4-3-5-27-12-18)20(32)31-14(2)17-10-29-22(30-11-17)23(24,25)26/h6-11,14,18,27H,3-5,12H2,1-2H3,(H,31,32)/t14-,18-/m1/s1.

What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide?

3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 491.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-piperidin-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 138374923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).