2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C124H137N33O16S5 — CID 158500904

IUPAC2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)n1
InChIInChI=1S/2C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.C22H22N6O2S/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-15-20(1-2-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(15-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;1-30(2)11-12-35-18-4-3-17-15-32(24(34)19(17)13-18)25-29-21(16-36-25)23(33)28-20-14-27-6-5-22(20)31-9-7-26-8-10-31;1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28;29-20(25-17-13-24-7-5-19(17)27-11-8-23-9-12-27)18-14-31-22(26-18)28-10-6-15-3-1-2-4-16(15)21(28)30/h2*1-4,15-16,18,28H,5-14,17H2,(H,30,35);3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,28,33);2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30);1-5,7,13-14,23H,6,8-12H2,(H,25,29)
InChIKeyHJWMIWUZRLUUBZ-UHFFFAOYSA-N
MW2506.01 g/mol
LogP11.26
Rot. Bonds33

About 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 158500904) has the molecular formula C124H137N33O16S5 and a molecular weight of 2506.01 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID158500904
Molecular FormulaC124H137N33O16S5
Molecular Weight2506.01 g/mol
Exact Mass2503.95
IUPAC Name2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)n1
InChIInChI=1S/2C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.C22H22N6O2S/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-15-20(1-2-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(15-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;1-30(2)11-12-35-18-4-3-17-15-32(24(34)19(17)13-18)25-29-21(16-36-25)23(33)28-20-14-27-6-5-22(20)31-9-7-26-8-10-31;1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28;29-20(25-17-13-24-7-5-19(17)27-11-8-23-9-12-27)18-14-31-22(26-18)28-10-6-15-3-1-2-4-16(15)21(28)30/h2*1-4,15-16,18,28H,5-14,17H2,(H,30,35);3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,28,33);2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30);1-5,7,13-14,23H,6,8-12H2,(H,25,29)
InChIKeyHJWMIWUZRLUUBZ-UHFFFAOYSA-N
XLogP11.26
TPSA517.40 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.01
LogP ≤ 511.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Analyze 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 158500904) is 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CN(C)CCOc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1ccc2c(c1)CCN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)n1.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HJWMIWUZRLUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.C22H22N6O2S/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-15-20(1-2-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(15-21(19)26(34)36)38-14-11-32-9-12-37-13-10-32;1-30(2)11-12-35-18-4-3-17-15-32(24(34)19(17)13-18)25-29-21(16-36-25)23(33)28-20-14-27-6-5-22(20)31-9-7-26-8-10-31;1-32-16-2-3-17-15(12-16)5-9-29(22(17)31)23-27-19(14-33-23)21(30)26-18-13-25-6-4-20(18)28-10-7-24-8-11-28;29-20(25-17-13-24-7-5-19(17)27-11-8-23-9-12-27)18-14-31-22(26-18)28-10-6-15-3-1-2-4-16(15)21(28)30/h2*1-4,15-16,18,28H,5-14,17H2,(H,30,35);3-6,13-14,16,26H,7-12,15H2,1-2H3,(H,28,33);2-4,6,12-14,24H,5,7-11H2,1H3,(H,26,30);1-5,7,13-14,23H,6,8-12H2,(H,25,29).
What are the key properties of 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2506.01 g/mol, XLogP of 11.26, 33 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158500904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).