2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C109H108Cl2N32O13S5 — CID 159657631

IUPAC2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2.Nc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(Cl)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cccc(Cl)c3C2=O)n1
InChIInChI=1S/C24H26N6O4S.C23H24N6O4S.2C21H19ClN6O2S.C20H20N8OS/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29;1-32-19-9-14-12-29(22(31)15(14)10-20(19)33-2)23-27-17(13-34-23)21(30)26-16-11-25-4-3-18(16)28-7-5-24-6-8-28;22-14-1-2-15-13(9-14)11-28(20(15)30)21-26-17(12-31-21)19(29)25-16-10-24-4-3-18(16)27-7-5-23-6-8-27;22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27;21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31);3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30);1-4,9-10,12,23H,5-8,11H2,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29)
InChIKeyMSJLPBCGSTVKNK-UHFFFAOYSA-N
MW2305.51 g/mol
LogP12.95
Rot. Bonds24

About 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 159657631) has the molecular formula C109H108Cl2N32O13S5 and a molecular weight of 2305.51 g/mol. Its IUPAC name is 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID159657631
Molecular FormulaC109H108Cl2N32O13S5
Molecular Weight2305.51 g/mol
Exact Mass2302.68
IUPAC Name2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2.Nc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(Cl)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cccc(Cl)c3C2=O)n1
InChIInChI=1S/C24H26N6O4S.C23H24N6O4S.2C21H19ClN6O2S.C20H20N8OS/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29;1-32-19-9-14-12-29(22(31)15(14)10-20(19)33-2)23-27-17(13-34-23)21(30)26-16-11-25-4-3-18(16)28-7-5-24-6-8-28;22-14-1-2-15-13(9-14)11-28(20(15)30)21-26-17(12-31-21)19(29)25-16-10-24-4-3-18(16)27-7-5-23-6-8-27;22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27;21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31);3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30);1-4,9-10,12,23H,5-8,11H2,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29)
InChIKeyMSJLPBCGSTVKNK-UHFFFAOYSA-N
XLogP12.95
TPSA512.75 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002305.51
LogP ≤ 512.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-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-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 159657631) is 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-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-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)CC2.Nc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(Cl)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cccc(Cl)c3C2=O)n1.
What is the InChIKey of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MSJLPBCGSTVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S.C23H24N6O4S.2C21H19ClN6O2S.C20H20N8OS/c1-33-20-11-15-4-8-30(23(32)16(15)12-21(20)34-2)24-28-18(14-35-24)22(31)27-17-13-26-5-3-19(17)29-9-6-25-7-10-29;1-32-19-9-14-12-29(22(31)15(14)10-20(19)33-2)23-27-17(13-34-23)21(30)26-16-11-25-4-3-18(16)28-7-5-24-6-8-28;22-14-1-2-15-13(9-14)11-28(20(15)30)21-26-17(12-31-21)19(29)25-16-10-24-4-3-18(16)27-7-5-23-6-8-27;22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27;21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h3,5,11-14,25H,4,6-10H2,1-2H3,(H,27,31);3-4,9-11,13,24H,5-8,12H2,1-2H3,(H,26,30);1-4,9-10,12,23H,5-8,11H2,(H,25,29);1-5,10,12,23H,6-9,11H2,(H,25,29);1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29).
What are the key properties of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2305.51 g/mol, XLogP of 12.95, 24 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159657631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).