2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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

C78H96N20O10S3 — CID 157355639

IUPAC2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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
SMILESC.C.C.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(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)n1
InChIInChI=1S/C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.3CH4/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(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;;;/h1-4,15-16,18,28H,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);3*1H4
InChIKeyBIAYEFCBNBGFOP-UHFFFAOYSA-N
MW1569.96 g/mol
LogP8.69
Rot. Bonds21

About 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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 (PubChem CID 157355639) has the molecular formula C78H96N20O10S3 and a molecular weight of 1569.96 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;methane;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.

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;methane;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
PubChem CID157355639
Molecular FormulaC78H96N20O10S3
Molecular Weight1569.96 g/mol
Exact Mass1568.68
IUPAC Name2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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
SMILESC.C.C.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(N2Cc3ccc(OCCN4CCOCC4)cc3C2=O)n1
InChIInChI=1S/C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.3CH4/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(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;;;/h1-4,15-16,18,28H,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);3*1H4
InChIKeyBIAYEFCBNBGFOP-UHFFFAOYSA-N
XLogP8.69
TPSA314.78 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001569.96
LogP ≤ 58.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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 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;methane;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?
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;methane;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 (CID 157355639) is 2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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.
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;methane;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?
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;methane;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 is C.C.C.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(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;methane;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?
The InChIKey is BIAYEFCBNBGFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4S.C25H29N7O3S.C23H24N6O3S.3CH4/c35-25(30-22-16-29-4-3-24(22)33-7-5-28-6-8-33)23-18-39-27(31-23)34-17-19-1-2-20(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;;;/h1-4,15-16,18,28H,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);3*1H4.
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;methane;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-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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 has a molecular weight of 1569.96 g/mol, XLogP of 8.69, 21 rotatable bonds, 6 hydrogen bond donors, and 27 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;methane;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 is sourced from PubChem (CID 157355639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).