N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C91H101N17O7S6 — CID 159469577

IUPACN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cccc(N)c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C24H27N5O2S.C24H27N3OS2.C23H26N4O2S2.C20H21N5O2S/c1-16(30)24(26-2)10-12-29(13-11-24)21-9-4-3-8-19(21)27-22(31)20-15-32-23(28-20)17-6-5-7-18(25)14-17;28-22(19-17-30-23(26-19)21-9-6-16-29-21)25-18-7-2-3-8-20(18)27-14-12-24(13-15-27)10-4-1-5-11-24;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(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/h3-9,14-15,26H,10-13,25H2,1-2H3,(H,27,31);2-3,6-9,16-17H,1,4-5,10-15H2,(H,25,28);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27)
InChIKeyLVPZSODTUWYJBP-UHFFFAOYSA-N
MW1737.32 g/mol
LogP19.30
Rot. Bonds22

About N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-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-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 159469577) has the molecular formula C91H101N17O7S6 and a molecular weight of 1737.32 g/mol. Its IUPAC name is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID159469577
Molecular FormulaC91H101N17O7S6
Molecular Weight1737.32 g/mol
Exact Mass1735.64
IUPAC NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cccc(N)c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C24H27N5O2S.C24H27N3OS2.C23H26N4O2S2.C20H21N5O2S/c1-16(30)24(26-2)10-12-29(13-11-24)21-9-4-3-8-19(21)27-22(31)20-15-32-23(28-20)17-6-5-7-18(25)14-17;28-22(19-17-30-23(26-19)21-9-6-16-29-21)25-18-7-2-3-8-20(18)27-14-12-24(13-15-27)10-4-1-5-11-24;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(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/h3-9,14-15,26H,10-13,25H2,1-2H3,(H,27,31);2-3,6-9,16-17H,1,4-5,10-15H2,(H,25,28);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27)
InChIKeyLVPZSODTUWYJBP-UHFFFAOYSA-N
XLogP19.30
TPSA324.88 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001737.32
LogP ≤ 519.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 159469577) is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(=O)C1CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CCCC1CCCN(c2cc(C(N)=O)ccc2NC(=O)c2csc(-c3cccs3)n2)C1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cccc(N)c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LVPZSODTUWYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C24H27N3OS2.C23H26N4O2S2.C20H21N5O2S/c1-16(30)24(26-2)10-12-29(13-11-24)21-9-4-3-8-19(21)27-22(31)20-15-32-23(28-20)17-6-5-7-18(25)14-17;28-22(19-17-30-23(26-19)21-9-6-16-29-21)25-18-7-2-3-8-20(18)27-14-12-24(13-15-27)10-4-1-5-11-24;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(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/h3-9,14-15,26H,10-13,25H2,1-2H3,(H,27,31);2-3,6-9,16-17H,1,4-5,10-15H2,(H,25,28);4,7-9,11-12,14-15H,2-3,5-6,10,13H2,1H3,(H2,24,28)(H,25,29);2-5,10-12,14H,6-9H2,1H3,(H,21,22)(H,23,27).
What are the key properties of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-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-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 1737.32 g/mol, XLogP of 19.30, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(3-aminophenyl)-1,3-thiazole-4-carboxamide;N-[2-(4-acetylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[4-carbamoyl-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159469577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).