N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C118H133FN24O9S7 — CID 158163777

IUPACN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC(=O)Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC(CCN)C2)c1.CCCC1CCCN(c2c(NC(=O)c3csc(-c4cccs4)n3)ccc3ccccc23)C1.CNC1(C(C)=O)CCN(c2cc(F)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C26H27N3OS2.C24H28N6O3S.C24H28N4O2S2.C23H27N5OS.C21H23FN6O2S/c1-2-7-18-8-5-14-29(16-18)24-20-10-4-3-9-19(20)12-13-21(24)27-25(30)22-17-32-26(28-22)23-11-6-15-31-23;1-17(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;1-16(29)12-18-6-7-19(21(13-18)28-10-2-4-17(14-28)8-9-25)26-23(30)20-15-32-24(27-20)22-5-3-11-31-22;29-21(19-16-30-22(27-19)17-14-24-25-15-17)26-18-6-2-3-7-20(18)28-12-10-23(11-13-28)8-4-1-5-9-23;1-13(29)21(23-2)5-7-28(8-6-21)18-9-15(22)3-4-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14/h3-4,6,9-13,15,17-18H,2,5,7-8,14,16H2,1H3,(H,27,30);2-5,14-16H,6-13H2,1H3,(H,25,26)(H,27,32);3,5-7,11,13,15,17H,2,4,8-10,12,14,25H2,1H3,(H,26,30);2-3,6-7,14-16H,1,4-5,8-13H2,(H,24,25)(H,26,29);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30)
InChIKeyFWPBQTULKHEGKB-UHFFFAOYSA-N
MW2274.99 g/mol
LogP23.57
Rot. Bonds30

About N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 158163777) has the molecular formula C118H133FN24O9S7 and a molecular weight of 2274.99 g/mol. Its IUPAC name is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID158163777
Molecular FormulaC118H133FN24O9S7
Molecular Weight2274.99 g/mol
Exact Mass2272.87
IUPAC NameN-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC(=O)Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC(CCN)C2)c1.CCCC1CCCN(c2c(NC(=O)c3csc(-c4cccs4)n3)ccc3ccccc23)C1.CNC1(C(C)=O)CCN(c2cc(F)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C26H27N3OS2.C24H28N6O3S.C24H28N4O2S2.C23H27N5OS.C21H23FN6O2S/c1-2-7-18-8-5-14-29(16-18)24-20-10-4-3-9-19(20)12-13-21(24)27-25(30)22-17-32-26(28-22)23-11-6-15-31-23;1-17(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;1-16(29)12-18-6-7-19(21(13-18)28-10-2-4-17(14-28)8-9-25)26-23(30)20-15-32-24(27-20)22-5-3-11-31-22;29-21(19-16-30-22(27-19)17-14-24-25-15-17)26-18-6-2-3-7-20(18)28-12-10-23(11-13-28)8-4-1-5-9-23;1-13(29)21(23-2)5-7-28(8-6-21)18-9-15(22)3-4-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14/h3-4,6,9-13,15,17-18H,2,5,7-8,14,16H2,1H3,(H,27,30);2-5,14-16H,6-13H2,1H3,(H,25,26)(H,27,32);3,5-7,11,13,15,17H,2,4,8-10,12,14,25H2,1H3,(H,26,30);2-3,6-7,14-16H,1,4-5,8-13H2,(H,24,25)(H,26,29);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30)
InChIKeyFWPBQTULKHEGKB-UHFFFAOYSA-N
XLogP23.57
TPSA413.92 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.99
LogP ≤ 523.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[[2-[4-[[1-[3-(2-aminoethyl)piperidin-1-yl]naphthalen-2-yl]carbamoyl]-1,3-thiazol-2-yl]thiophen-3-yl]carbamoyl]-4-morpholin-4-ylpiperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 126661489
N-[1-[3-(2-aminoethyl)piperidin-1-yl]naphthalen-2-yl]-2-[4-[[4-morpholin-4-yl-1-[2-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidine-4-carbonyl]amino]thiophen-2-yl]-1,3-thiazole-4-carboxamide
CID 126662032
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
N-[4-acetyl-2-[3-(2-aminoethyl)piperidin-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
CID 157803134
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
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
N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-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-carbamoyl-4-(methylamino)piperidin-1-yl]-3-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 158813001
N-[4-acetyl-2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[5-amino-2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-4-methylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(7-azaspiro[4.5]decan-7-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-5-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 159019882
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide;N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[2-(2,8-diazaspiro[4.5]decan-8-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;2-(1H-indol-5-yl)-N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 159112597
N-[2-(4-acetyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[4-(2-amino-2-oxoethyl)-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-methoxy-2-(3-propylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 159375524
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
1-[2-(4-cyclopenta-1,4-dien-1-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-3-(morpholin-4-ylmethyl)-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide;1-[1-[2-(4-cyclopenta-1,4-dien-1-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-3-(piperazin-1-ylmethyl)pyrrolidin-3-yl]-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;3-(methoxymethyl)-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-(3-phenyl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 160011440

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 158163777) is N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CC(=O)Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(N2CCCC(CCN)C2)c1.CCCC1CCCN(c2c(NC(=O)c3csc(-c4cccs4)n3)ccc3ccccc23)C1.CNC1(C(C)=O)CCN(c2cc(F)ccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCCC2)CC1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FWPBQTULKHEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS2.C24H28N6O3S.C24H28N4O2S2.C23H27N5OS.C21H23FN6O2S/c1-2-7-18-8-5-14-29(16-18)24-20-10-4-3-9-19(20)12-13-21(24)27-25(30)22-17-32-26(28-22)23-11-6-15-31-23;1-17(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;1-16(29)12-18-6-7-19(21(13-18)28-10-2-4-17(14-28)8-9-25)26-23(30)20-15-32-24(27-20)22-5-3-11-31-22;29-21(19-16-30-22(27-19)17-14-24-25-15-17)26-18-6-2-3-7-20(18)28-12-10-23(11-13-28)8-4-1-5-9-23;1-13(29)21(23-2)5-7-28(8-6-21)18-9-15(22)3-4-16(18)26-19(30)17-12-31-20(27-17)14-10-24-25-11-14/h3-4,6,9-13,15,17-18H,2,5,7-8,14,16H2,1H3,(H,27,30);2-5,14-16H,6-13H2,1H3,(H,25,26)(H,27,32);3,5-7,11,13,15,17H,2,4,8-10,12,14,25H2,1H3,(H,26,30);2-3,6-7,14-16H,1,4-5,8-13H2,(H,24,25)(H,26,29);3-4,9-12,23H,5-8H2,1-2H3,(H,24,25)(H,26,30).
What are the key properties of N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 2274.99 g/mol, XLogP of 23.57, 30 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]-4-fluorophenyl]-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-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxopropyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-propylpiperidin-1-yl)naphthalen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158163777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).