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

C116H126N24O9S8 — CID 159112597

IUPACN-[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
SMILESCNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCNC2)CC1)c1csc(-c2cccs2)n1.O=C(Nc1ccccc1N1CCC2(CCNC2)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C26H27N5O2S.C24H25N5O3S2.C23H26N4OS2.C22H24N4OS2.C21H24N6O2S/c1-17(32)26(27-2)10-13-31(14-11-26)23-6-4-3-5-21(23)29-24(33)22-16-34-25(30-22)19-7-8-20-18(15-19)9-12-28-20;1-34(31,32)28-18-9-12-29(13-10-18)22-5-3-2-4-20(22)26-23(30)21-15-33-24(27-21)17-6-7-19-16(14-17)8-11-25-19;28-21(18-15-30-22(26-18)20-7-3-14-29-20)25-17-5-1-2-6-19(17)27-12-9-23(10-13-27)8-4-11-24-16-23;27-20(17-14-29-21(25-17)19-6-3-13-28-19)24-16-4-1-2-5-18(16)26-11-8-22(9-12-26)7-10-23-15-22;1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-9,12,15-16,27-28H,10-11,13-14H2,1-2H3,(H,29,33);2-8,11,14-15,18,25,28H,9-10,12-13H2,1H3,(H,26,30);1-3,5-7,14-15,24H,4,8-13,16H2,(H,25,28);1-6,13-14,23H,7-12,15H2,(H,24,27);3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyKERKAHBELABIGP-UHFFFAOYSA-N
MW2256.98 g/mol
LogP21.48
Rot. Bonds26

About 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

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 (PubChem CID 159112597) has the molecular formula C116H126N24O9S8 and a molecular weight of 2256.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159112597
Molecular FormulaC116H126N24O9S8
Molecular Weight2256.98 g/mol
Exact Mass2254.79
IUPAC NameN-[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
SMILESCNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCNC2)CC1)c1csc(-c2cccs2)n1.O=C(Nc1ccccc1N1CCC2(CCNC2)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C26H27N5O2S.C24H25N5O3S2.C23H26N4OS2.C22H24N4OS2.C21H24N6O2S/c1-17(32)26(27-2)10-13-31(14-11-26)23-6-4-3-5-21(23)29-24(33)22-16-34-25(30-22)19-7-8-20-18(15-19)9-12-28-20;1-34(31,32)28-18-9-12-29(13-10-18)22-5-3-2-4-20(22)26-23(30)21-15-33-24(27-21)17-6-7-19-16(14-17)8-11-25-19;28-21(18-15-30-22(26-18)20-7-3-14-29-20)25-17-5-1-2-6-19(17)27-12-9-23(10-13-27)8-4-11-24-16-23;27-20(17-14-29-21(25-17)19-6-3-13-28-19)24-16-4-1-2-5-18(16)26-11-8-22(9-12-26)7-10-23-15-22;1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-9,12,15-16,27-28H,10-11,13-14H2,1-2H3,(H,29,33);2-8,11,14-15,18,25,28H,9-10,12-13H2,1H3,(H,26,30);1-3,5-7,14-15,24H,4,8-13,16H2,(H,25,28);1-6,13-14,23H,7-12,15H2,(H,24,27);3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyKERKAHBELABIGP-UHFFFAOYSA-N
XLogP21.48
TPSA414.84 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002256.98
LogP ≤ 521.48
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 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 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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.CNC1(C(C)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.CS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4[nH]ccc4c3)n2)CC1.O=C(Nc1ccccc1N1CCC2(CCCNC2)CC1)c1csc(-c2cccs2)n1.O=C(Nc1ccccc1N1CCC2(CCNC2)CC1)c1csc(-c2cccs2)n1.
What is the InChIKey of 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?
The InChIKey is KERKAHBELABIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S.C24H25N5O3S2.C23H26N4OS2.C22H24N4OS2.C21H24N6O2S/c1-17(32)26(27-2)10-13-31(14-11-26)23-6-4-3-5-21(23)29-24(33)22-16-34-25(30-22)19-7-8-20-18(15-19)9-12-28-20;1-34(31,32)28-18-9-12-29(13-10-18)22-5-3-2-4-20(22)26-23(30)21-15-33-24(27-21)17-6-7-19-16(14-17)8-11-25-19;28-21(18-15-30-22(26-18)20-7-3-14-29-20)25-17-5-1-2-6-19(17)27-12-9-23(10-13-27)8-4-11-24-16-23;27-20(17-14-29-21(25-17)19-6-3-13-28-19)24-16-4-1-2-5-18(16)26-11-8-22(9-12-26)7-10-23-15-22;1-14(28)21(22-2)7-9-27(10-8-21)18-6-4-3-5-16(18)25-19(29)17-13-30-20(26-17)15-11-23-24-12-15/h3-9,12,15-16,27-28H,10-11,13-14H2,1-2H3,(H,29,33);2-8,11,14-15,18,25,28H,9-10,12-13H2,1H3,(H,26,30);1-3,5-7,14-15,24H,4,8-13,16H2,(H,25,28);1-6,13-14,23H,7-12,15H2,(H,24,27);3-6,11-13,22H,7-10H2,1-2H3,(H,23,24)(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 2256.98 g/mol, XLogP of 21.48, 26 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159112597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).