N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C107H119F2N29O11S6 — CID 158029944

IUPACN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2c(F)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)CC1(O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCCC3)C2)c1
InChIInChI=1S/C24H26N4O2S2.2C21H23FN6O2S.C21H25N7O2S.C20H22N6O3S/c25-21(29)16-6-7-17(19(13-16)28-11-4-10-24(15-28)8-1-2-9-24)26-22(30)18-14-32-23(27-18)20-5-3-12-31-20;1-13(29)21(23-2)5-7-28(8-6-21)18-4-3-15(22)9-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-13(29)21(23-2)6-8-28(9-7-21)18-15(22)4-3-5-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14;21-17(27)9-20(29)5-7-26(8-6-20)16-4-2-1-3-14(16)24-18(28)15-12-30-19(25-15)13-10-22-23-11-13/h3,5-7,12-14H,1-2,4,8-11,15H2,(H2,25,29)(H,26,30);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30);3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,30);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29);1-4,10-12,29H,5-9H2,(H2,21,27)(H,22,23)(H,24,28)
InChIKeyFHBGACNPGHFLIT-UHFFFAOYSA-N
MW2217.72 g/mol
LogP15.69
Rot. Bonds29

About N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158029944) has the molecular formula C107H119F2N29O11S6 and a molecular weight of 2217.72 g/mol. Its IUPAC name is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID158029944
Molecular FormulaC107H119F2N29O11S6
Molecular Weight2217.72 g/mol
Exact Mass2215.79
IUPAC NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2c(F)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)CC1(O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCCC3)C2)c1
InChIInChI=1S/C24H26N4O2S2.2C21H23FN6O2S.C21H25N7O2S.C20H22N6O3S/c25-21(29)16-6-7-17(19(13-16)28-11-4-10-24(15-28)8-1-2-9-24)26-22(30)18-14-32-23(27-18)20-5-3-12-31-20;1-13(29)21(23-2)5-7-28(8-6-21)18-4-3-15(22)9-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-13(29)21(23-2)6-8-28(9-7-21)18-15(22)4-3-5-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14;21-17(27)9-20(29)5-7-26(8-6-20)16-4-2-1-3-14(16)24-18(28)15-12-30-19(25-15)13-10-22-23-11-13/h3,5-7,12-14H,1-2,4,8-11,15H2,(H2,25,29)(H,26,30);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30);3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,30);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29);1-4,10-12,29H,5-9H2,(H2,21,27)(H,22,23)(H,24,28)
InChIKeyFHBGACNPGHFLIT-UHFFFAOYSA-N
XLogP15.69
TPSA551.81 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002217.72
LogP ≤ 515.69
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-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-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 158029944) is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CN(C)C1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2c(F)cccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)CC1(O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.NC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC3(CCCC3)C2)c1.
What is the InChIKey of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FHBGACNPGHFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2.2C21H23FN6O2S.C21H25N7O2S.C20H22N6O3S/c25-21(29)16-6-7-17(19(13-16)28-11-4-10-24(15-28)8-1-2-9-24)26-22(30)18-14-32-23(27-18)20-5-3-12-31-20;1-13(29)21(23-2)5-7-28(8-6-21)18-4-3-15(22)9-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-13(29)21(23-2)6-8-28(9-7-21)18-15(22)4-3-5-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14;1-27(2)21(20(22)30)7-9-28(10-8-21)17-6-4-3-5-15(17)25-18(29)16-13-31-19(26-16)14-11-23-24-12-14;21-17(27)9-20(29)5-7-26(8-6-20)16-4-2-1-3-14(16)24-18(28)15-12-30-19(25-15)13-10-22-23-11-13/h3,5-7,12-14H,1-2,4,8-11,15H2,(H2,25,29)(H,26,30);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30);3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,30);3-6,11-13H,7-10H2,1-2H3,(H2,22,30)(H,23,24)(H,25,29);1-4,10-12,29H,5-9H2,(H2,21,27)(H,22,23)(H,24,28).
What are the key properties of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2217.72 g/mol, XLogP of 15.69, 29 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-3-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-(2-amino-2-oxoethyl)-4-hydroxypiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)-4-carbamoylphenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-[4-carbamoyl-4-(dimethylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158029944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).