N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide

C22H19F3N4O2S — CID 144673084

About N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide

N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide (PubChem CID 144673084) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 144673084
• Molecular Formula: C22H19F3N4O2S
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide
• SMILES: C=C(NC(=O)c1cnsc1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1
• InChI: InChI=1S/C22H19F3N4O2S/c1-14(27-21(30)16-11-26-32-13-16)15-5-7-17(8-6-15)31-18-9-10-29(12-18)20-4-2-3-19(28-20)22(23,24)25/h2-8,11,13,18H,1,9-10,12H2,(H,27,30)/t18-/m1/s1
• InChIKey: KNMFRXTXAVIAON-GOSISDBHSA-N
• XLogP: 4.62
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide (CID 144673084) is N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide is C=C(NC(=O)c1cnsc1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.

What is the InChIKey of N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide?

The InChIKey is KNMFRXTXAVIAON-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-14(27-21(30)16-11-26-32-13-16)15-5-7-17(8-6-15)31-18-9-10-29(12-18)20-4-2-3-19(28-20)22(23,24)25/h2-8,11,13,18H,1,9-10,12H2,(H,27,30)/t18-/m1/s1.

What are the key properties of N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide?

N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[(3R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 144673084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).