2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)

C113H125ClN30O14S5 — CID 161426391

IUPAC2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)
SMILESC.C.C.C.C.COc1cccc2c1C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(O)cc3C2=O)n1
InChIInChI=1S/3C22H22N6O3S.C21H19ClN6O2S.C21H20N6O3S.5CH4/c2*1-31-19-4-2-3-14-15(19)12-28(21(14)30)22-26-17(13-32-22)20(29)25-16-11-24-6-5-18(16)27-9-7-23-8-10-27;1-31-18-4-2-3-14-12-28(21(30)19(14)18)22-26-16(13-32-22)20(29)25-15-11-24-6-5-17(15)27-9-7-23-8-10-27;22-15-3-1-2-13-14(15)11-28(20(13)30)21-26-17(12-31-21)19(29)25-16-10-24-5-4-18(16)27-8-6-23-7-9-27;28-14-2-1-13-11-27(20(30)15(13)9-14)21-25-17(12-31-21)19(29)24-16-10-23-4-3-18(16)26-7-5-22-6-8-26;;;;;/h3*2-6,11,13,23H,7-10,12H2,1H3,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-4,9-10,12,22,28H,5-8,11H2,(H,24,29);5*1H4
InChIKeyVXKJYEFOJBJDTM-UHFFFAOYSA-N
MW2323.23 g/mol
LogP15.37
Rot. Bonds23

About 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)

2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide) (PubChem CID 161426391) has the molecular formula C113H125ClN30O14S5 and a molecular weight of 2323.23 g/mol. Its IUPAC name is 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide).

Molecular Properties

Compound Name2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)
PubChem CID161426391
Molecular FormulaC113H125ClN30O14S5
Molecular Weight2323.23 g/mol
Exact Mass2320.83
IUPAC Name2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)
SMILESC.C.C.C.C.COc1cccc2c1C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(O)cc3C2=O)n1
InChIInChI=1S/3C22H22N6O3S.C21H19ClN6O2S.C21H20N6O3S.5CH4/c2*1-31-19-4-2-3-14-15(19)12-28(21(14)30)22-26-17(13-32-22)20(29)25-16-11-24-6-5-18(16)27-9-7-23-8-10-27;1-31-18-4-2-3-14-12-28(21(30)19(14)18)22-26-16(13-32-22)20(29)25-15-11-24-6-5-17(15)27-9-7-23-8-10-27;22-15-3-1-2-13-14(15)11-28(20(13)30)21-26-17(12-31-21)19(29)25-16-10-24-5-4-18(16)27-8-6-23-7-9-27;28-14-2-1-13-11-27(20(30)15(13)9-14)21-25-17(12-31-21)19(29)24-16-10-23-4-3-18(16)26-7-5-22-6-8-26;;;;;/h3*2-6,11,13,23H,7-10,12H2,1H3,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-4,9-10,12,22,28H,5-8,11H2,(H,24,29);5*1H4
InChIKeyVXKJYEFOJBJDTM-UHFFFAOYSA-N
XLogP15.37
TPSA500.22 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.23
LogP ≤ 515.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-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-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)?
The IUPAC name of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide) (CID 161426391) is 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-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-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)?
The canonical SMILES for 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide) is C.C.C.C.C.COc1cccc2c1C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COc1cccc2c1CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(O)cc3C2=O)n1.
What is the InChIKey of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)?
The InChIKey is VXKJYEFOJBJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H22N6O3S.C21H19ClN6O2S.C21H20N6O3S.5CH4/c2*1-31-19-4-2-3-14-15(19)12-28(21(14)30)22-26-17(13-32-22)20(29)25-16-11-24-6-5-18(16)27-9-7-23-8-10-27;1-31-18-4-2-3-14-12-28(21(30)19(14)18)22-26-16(13-32-22)20(29)25-15-11-24-6-5-17(15)27-9-7-23-8-10-27;22-15-3-1-2-13-14(15)11-28(20(13)30)21-26-17(12-31-21)19(29)25-16-10-24-5-4-18(16)27-8-6-23-7-9-27;28-14-2-1-13-11-27(20(30)15(13)9-14)21-25-17(12-31-21)19(29)24-16-10-23-4-3-18(16)26-7-5-22-6-8-26;;;;;/h3*2-6,11,13,23H,7-10,12H2,1H3,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-4,9-10,12,22,28H,5-8,11H2,(H,24,29);5*1H4.
What are the key properties of 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide)?
2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide) has a molecular weight of 2323.23 g/mol, XLogP of 15.37, 23 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(4-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;bis(2-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide) is sourced from PubChem (CID 161426391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).