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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C107H123N29O10S6 — CID 158662073

IUPACN-[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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.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
InChIInChI=1S/C23H28N8O3S.C23H26N4O2S2.C21H25N7O2S.C20H21N5O2S.C20H23N5OS/c1-13-8-19(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;1-2-5-15-6-3-10-27(13-15)19-12-16(21(24)28)8-9-17(19)25-22(29)18-14-31-23(26-18)20-7-4-11-30-20;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;1-13(26)14-6-8-25(9-7-14)18-5-3-2-4-16(18)23-19(27)17-12-28-20(24-17)15-10-21-22-11-15;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/h8-12,25H,4-7H2,1-3H3,(H2,24,34)(H,26,27)(H,28,32)(H,29,33);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);3-4,9-12,23H,5-8H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27);2-3,6-7,11-14H,4-5,8-10H2,1H3,(H,21,22)(H,23,26)
InChIKeyICWMRANKJVREAU-UHFFFAOYSA-N
MW2167.76 g/mol
LogP17.48
Rot. Bonds29

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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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 158662073) has the molecular formula C107H123N29O10S6 and a molecular weight of 2167.76 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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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 NameN-[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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID158662073
Molecular FormulaC107H123N29O10S6
Molecular Weight2167.76 g/mol
Exact Mass2165.83
IUPAC NameN-[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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.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
InChIInChI=1S/C23H28N8O3S.C23H26N4O2S2.C21H25N7O2S.C20H21N5O2S.C20H23N5OS/c1-13-8-19(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;1-2-5-15-6-3-10-27(13-15)19-12-16(21(24)28)8-9-17(19)25-22(29)18-14-31-23(26-18)20-7-4-11-30-20;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;1-13(26)14-6-8-25(9-7-14)18-5-3-2-4-16(18)23-19(27)17-12-28-20(24-17)15-10-21-22-11-15;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/h8-12,25H,4-7H2,1-3H3,(H2,24,34)(H,26,27)(H,28,32)(H,29,33);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);3-4,9-12,23H,5-8H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27);2-3,6-7,11-14H,4-5,8-10H2,1H3,(H,21,22)(H,23,26)
InChIKeyICWMRANKJVREAU-UHFFFAOYSA-N
XLogP17.48
TPSA540.37 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.76
LogP ≤ 517.48
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(4-methylazepan-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 158662073) 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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC1CCCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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 ICWMRANKJVREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3S.C23H26N4O2S2.C21H25N7O2S.C20H21N5O2S.C20H23N5OS/c1-13-8-19(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;1-2-5-15-6-3-10-27(13-15)19-12-16(21(24)28)8-9-17(19)25-22(29)18-14-31-23(26-18)20-7-4-11-30-20;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;1-13(26)14-6-8-25(9-7-14)18-5-3-2-4-16(18)23-19(27)17-12-28-20(24-17)15-10-21-22-11-15;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/h8-12,25H,4-7H2,1-3H3,(H2,24,34)(H,26,27)(H,28,32)(H,29,33);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);3-4,9-12,23H,5-8H2,1-2H3,(H2,22,30)(H,24,25)(H,26,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27);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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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 2167.76 g/mol, XLogP of 17.48, 29 rotatable bonds, 15 hydrogen bond donors, and 32 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-acetylpiperidin-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-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-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 158662073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).