N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C21H24F2N4O2S — CID 112830777

About N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 112830777) has the molecular formula C21H24F2N4O2S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
• PubChem CID: 112830777
• Molecular Formula: C21H24F2N4O2S
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.16
• IUPAC Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CCCN(C(=O)N2CCCC2)C1
• InChI: InChI=1S/C21H24F2N4O2S/c22-17-6-5-14(11-18(17)23)10-16-12-24-20(30-16)25-19(28)15-4-3-9-27(13-15)21(29)26-7-1-2-8-26/h5-6,11-12,15H,1-4,7-10,13H2,(H,24,25,28)
• InChIKey: ZVOXQOZUMPAFJC-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 112830777) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CCCN(C(=O)N2CCCC2)C1.

What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?

The InChIKey is ZVOXQOZUMPAFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2S/c22-17-6-5-14(11-18(17)23)10-16-12-24-20(30-16)25-19(28)15-4-3-9-27(13-15)21(29)26-7-1-2-8-26/h5-6,11-12,15H,1-4,7-10,13H2,(H,24,25,28).

What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 112830777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).