2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C148H160N36O25S6 — CID 157234543

IUPAC2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC1(COc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)COC1.CC1(COc2ccc3c(c2)CN(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3=O)COC1.COCCOCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCO)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1
InChIInChI=1S/C26H30N6O5S.2C26H28N6O4S.C24H26N6O4S.2C23H24N6O4S/c1-35-10-11-36-12-13-37-19-2-3-20-18(14-19)16-32(25(20)34)26-30-22(17-38-26)24(33)29-21-15-28-5-4-23(21)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-2-3-19-17(10-18)12-32(24(19)34)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-3-2-17-12-32(24(34)19(17)10-18)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-33-10-11-34-17-2-3-18-16(12-17)14-30(23(18)32)24-28-20(15-35-24)22(31)27-19-13-26-5-4-21(19)29-8-6-25-7-9-29;30-9-10-33-16-1-2-17-15(11-16)13-29(22(17)32)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28;30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h2-5,14-15,17,27H,6-13,16H2,1H3,(H,29,33);2*2-5,10-11,13,27H,6-9,12,14-16H2,1H3,(H,29,33);2-5,12-13,15,25H,6-11,14H2,1H3,(H,27,31);2*1-4,11-12,14,24,30H,5-10,13H2,(H,26,31)
InChIKeyAUMCPBLTHNUGHN-UHFFFAOYSA-N
MW3035.54 g/mol
LogP13.80
Rot. Bonds47

About 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 157234543) has the molecular formula C148H160N36O25S6 and a molecular weight of 3035.54 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID157234543
Molecular FormulaC148H160N36O25S6
Molecular Weight3035.54 g/mol
Exact Mass3033.07
IUPAC Name2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC1(COc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)COC1.CC1(COc2ccc3c(c2)CN(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3=O)COC1.COCCOCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCO)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1
InChIInChI=1S/C26H30N6O5S.2C26H28N6O4S.C24H26N6O4S.2C23H24N6O4S/c1-35-10-11-36-12-13-37-19-2-3-20-18(14-19)16-32(25(20)34)26-30-22(17-38-26)24(33)29-21-15-28-5-4-23(21)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-2-3-19-17(10-18)12-32(24(19)34)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-3-2-17-12-32(24(34)19(17)10-18)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-33-10-11-34-17-2-3-18-16(12-17)14-30(23(18)32)24-28-20(15-35-24)22(31)27-19-13-26-5-4-21(19)29-8-6-25-7-9-29;30-9-10-33-16-1-2-17-15(11-16)13-29(22(17)32)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28;30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h2-5,14-15,17,27H,6-13,16H2,1H3,(H,29,33);2*2-5,10-11,13,27H,6-9,12,14-16H2,1H3,(H,29,33);2-5,12-13,15,25H,6-11,14H2,1H3,(H,27,31);2*1-4,11-12,14,24,30H,5-10,13H2,(H,26,31)
InChIKeyAUMCPBLTHNUGHN-UHFFFAOYSA-N
XLogP13.80
TPSA684.75 Ų
H-Bond Donors14
H-Bond Acceptors55
Rotatable Bonds47
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003035.54
LogP ≤ 513.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24952695
2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953044
2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953045
2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953046
2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953047
2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953048
2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332033
2-[5-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332053
N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-1,3-thiazole-4-carboxamide
CID 59332078
2-[5-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332134
2-[5-(2-hydroperoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332367
2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71053446

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-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-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 157234543) is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)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-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-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-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CC1(COc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)COC1.CC1(COc2ccc3c(c2)CN(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3=O)COC1.COCCOCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.COCCOc1ccc2c(c1)CN(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2=O.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3cc(OCCO)ccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AUMCPBLTHNUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5S.2C26H28N6O4S.C24H26N6O4S.2C23H24N6O4S/c1-35-10-11-36-12-13-37-19-2-3-20-18(14-19)16-32(25(20)34)26-30-22(17-38-26)24(33)29-21-15-28-5-4-23(21)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-2-3-19-17(10-18)12-32(24(19)34)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-26(14-35-15-26)16-36-18-3-2-17-12-32(24(34)19(17)10-18)25-30-21(13-37-25)23(33)29-20-11-28-5-4-22(20)31-8-6-27-7-9-31;1-33-10-11-34-17-2-3-18-16(12-17)14-30(23(18)32)24-28-20(15-35-24)22(31)27-19-13-26-5-4-21(19)29-8-6-25-7-9-29;30-9-10-33-16-1-2-17-15(11-16)13-29(22(17)32)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28;30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h2-5,14-15,17,27H,6-13,16H2,1H3,(H,29,33);2*2-5,10-11,13,27H,6-9,12,14-16H2,1H3,(H,29,33);2-5,12-13,15,25H,6-11,14H2,1H3,(H,27,31);2*1-4,11-12,14,24,30H,5-10,13H2,(H,26,31).
What are the key properties of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 3035.54 g/mol, XLogP of 13.80, 47 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[2-(2-methoxyethoxy)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-[(3-methyloxetan-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157234543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).