2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)

C24H27ClF9N7O8S — CID 11411724

About 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)

2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 11411724) has the molecular formula C24H27ClF9N7O8S and a molecular weight of 780.02 g/mol. Its IUPAC name is 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 11411724
• Molecular Formula: C24H27ClF9N7O8S
• Molecular Weight: 780.02 g/mol
• Exact Mass: 779.12
• IUPAC Name: 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)
• SMILES: N#CC1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H24ClN7O2S.3C2HF3O2/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20;3*3-2(4,5)1(6)7/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27);3*(H,6,7)
• InChIKey: YRGWSWGFAVVROS-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 230.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.02
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid) (CID 11411724) is 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid) is N#CC1CSCN1C(=O)CN(N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)?

The InChIKey is YRGWSWGFAVVROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O2S.3C2HF3O2/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20;3*3-2(4,5)1(6)7/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27);3*(H,6,7).

What are the key properties of 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid)?

2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 780.02 g/mol, XLogP of 2.64, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 11411724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).