N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C88H104N26O9S4 — CID 157448385

About N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 157448385) has the molecular formula C88H104N26O9S4 and a molecular weight of 1798.24 g/mol. Its IUPAC name is N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157448385
• Molecular Formula: C88H104N26O9S4
• Molecular Weight: 1798.24 g/mol
• Exact Mass: 1796.74
• IUPAC Name: N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: CC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2cc(C)c(NC(C)=O)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2cc(C)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1
• InChI: InChI=1S/C24H28N6O3S.C23H28N8O3S.C21H25N7O2S.C20H23N5OS/c1-17(31)24(30-10-12-33-13-11-30)6-8-29(9-7-24)21-5-3-2-4-19(21)27-22(32)20-16-34-23(28-20)18-14-25-26-15-18;1-13-8-19(31-6-4-23(25-3,5-7-31)22(24)34)17(9-16(13)28-14(2)32)29-20(33)18-12-35-21(30-18)15-10-26-27-11-15;1-13-3-4-15(17(9-13)28-7-5-21(23-2,6-8-28)20(22)30)26-18(29)16-12-31-19(27-16)14-10-24-25-11-14;1-14-5-4-9-25(10-8-14)18-7-3-2-6-16(18)23-19(26)17-13-27-20(24-17)15-11-21-22-12-15/h2-5,14-16H,6-13H2,1H3,(H,25,26)(H,27,32);8-12,25H,4-7H2,1-3H3,(H2,24,34)(H,26,27)(H,28,32)(H,29,33);3-4,9-12,23H,5-8H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);2-3,6-7,11-14H,4-5,8-10H2,1H3,(H,21,22)(H,23,26)
• InChIKey: BSMPUDCAICECHX-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 464.52 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.24
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 157448385) is N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2cc(C)c(NC(C)=O)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(N)=O)CCN(c2cc(C)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.

What is the InChIKey of N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is BSMPUDCAICECHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.C23H28N8O3S.C21H25N7O2S.C20H23N5OS/c1-17(31)24(30-10-12-33-13-11-30)6-8-29(9-7-24)21-5-3-2-4-19(21)27-22(32)20-16-34-23(28-20)18-14-25-26-15-18;1-13-8-19(31-6-4-23(25-3,5-7-31)22(24)34)17(9-16(13)28-14(2)32)29-20(33)18-12-35-21(30-18)15-10-26-27-11-15;1-13-3-4-15(17(9-13)28-7-5-21(23-2,6-8-28)20(22)30)26-18(29)16-12-31-19(27-16)14-10-24-25-11-14;1-14-5-4-9-25(10-8-14)18-7-3-2-6-16(18)23-19(26)17-13-27-20(24-17)15-11-21-22-12-15/h2-5,14-16H,6-13H2,1H3,(H,25,26)(H,27,32);8-12,25H,4-7H2,1-3H3,(H2,24,34)(H,26,27)(H,28,32)(H,29,33);3-4,9-12,23H,5-8H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);2-3,6-7,11-14H,4-5,8-10H2,1H3,(H,21,22)(H,23,26).

What are the key properties of N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 1798.24 g/mol, XLogP of 11.69, 23 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-acetamido-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157448385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).