N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

C24H31F3N4O5S2 — CID 160555597

About N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 160555597) has the molecular formula C24H31F3N4O5S2 and a molecular weight of 576.66 g/mol. Its IUPAC name is N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 160555597
• Molecular Formula: C24H31F3N4O5S2
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.17
• IUPAC Name: N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H30N4O3S2.C2HF3O2/c1-14-7-8-17(13-19(14)31(28,29)26-11-9-18(23)10-12-26)20-15(2)24-22(30-20)25-21(27)16-5-3-4-6-16;3-2(4,5)1(6)7/h7-8,13,16,18H,3-6,9-12,23H2,1-2H3,(H,24,25,27);(H,6,7)
• InChIKey: UBDRVJDARIOTGA-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 142.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (CID 160555597) is N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(-c2sc(NC(=O)C3CCCC3)nc2C)cc1S(=O)(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is UBDRVJDARIOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2.C2HF3O2/c1-14-7-8-17(13-19(14)31(28,29)26-11-9-18(23)10-12-26)20-15(2)24-22(30-20)25-21(27)16-5-3-4-6-16;3-2(4,5)1(6)7/h7-8,13,16,18H,3-6,9-12,23H2,1-2H3,(H,24,25,27);(H,6,7).

What are the key properties of N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 576.66 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).