5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide

C24H23F3N6O2S — CID 160949852

About 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide

5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide (PubChem CID 160949852) has the molecular formula C24H23F3N6O2S and a molecular weight of 516.55 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 160949852
• Molecular Formula: C24H23F3N6O2S
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.16
• IUPAC Name: 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Cc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCCN(CC(F)(F)F)C2)nc1
• InChI: InChI=1S/C24H23F3N6O2S/c1-15-22(20(36-32-15)9-17-5-4-16(10-28)11-29-17)23(34)31-18-6-7-21(30-12-18)35-19-3-2-8-33(13-19)14-24(25,26)27/h4-7,11-12,19H,2-3,8-9,13-14H2,1H3,(H,31,34)
• InChIKey: SVPMAKBYAKUMGD-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 104.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The IUPAC name of 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide (CID 160949852) is 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide is Cc1nsc(Cc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCCN(CC(F)(F)F)C2)nc1.

What is the InChIKey of 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The InChIKey is SVPMAKBYAKUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2S/c1-15-22(20(36-32-15)9-17-5-4-16(10-28)11-29-17)23(34)31-18-6-7-21(30-12-18)35-19-3-2-8-33(13-19)14-24(25,26)27/h4-7,11-12,19H,2-3,8-9,13-14H2,1H3,(H,31,34).

What are the key properties of 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 160949852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).