2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C135H164ClN33O17S5 — CID 158563489

About 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 158563489) has the molecular formula C135H164ClN33O17S5 and a molecular weight of 2716.80 g/mol. Its IUPAC name is 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 158563489
• Molecular Formula: C135H164ClN33O17S5
• Molecular Weight: 2716.80 g/mol
• Exact Mass: 2714.13
• IUPAC Name: 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.C.C.CC(CO)(CCl)COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CC1(COc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)COC1.CN1CCC(Oc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)CC1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNC4)cc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNCC4)cc3C2=O)n1
• InChI: InChI=1S/C27H31N7O3S.C26H29ClN6O4S.C26H29N7O3S.C26H28N6O4S.C25H27N7O3S.5CH4/c1-32-10-5-19(6-11-32)37-20-3-2-18-16-34(26(36)21(18)14-20)27-31-23(17-38-27)25(35)30-22-15-29-7-4-24(22)33-12-8-28-9-13-33;1-26(14-27,15-34)16-37-18-3-2-17-12-33(24(36)19(17)10-18)25-31-21(13-38-25)23(35)30-20-11-29-5-4-22(20)32-8-6-28-7-9-32;34-24(30-21-14-29-8-5-23(21)32-11-9-28-10-12-32)22-16-37-26(31-22)33-15-17-1-2-19(13-20(17)25(33)35)36-18-3-6-27-7-4-18;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;33-23(29-20-13-28-6-4-22(20)31-9-7-26-8-10-31)21-15-36-25(30-21)32-14-16-1-2-17(11-19(16)24(32)34)35-18-3-5-27-12-18;;;;;/h2-4,7,14-15,17,19,28H,5-6,8-13,16H2,1H3,(H,30,35);2-5,10-11,13,28,34H,6-9,12,14-16H2,1H3,(H,30,35);1-2,5,8,13-14,16,18,27-28H,3-4,6-7,9-12,15H2,(H,30,34);2-5,10-11,13,27H,6-9,12,14-16H2,1H3,(H,29,33);1-2,4,6,11,13,15,18,26-27H,3,5,7-10,12,14H2,(H,29,33);5*1H4
• InChIKey: HREIKSFMEJFDKP-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 555.21 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2716.80
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 158563489) is 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-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-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is C.C.C.C.C.CC(CO)(CCl)COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.CC1(COc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)COC1.CN1CCC(Oc2ccc3c(c2)C(=O)N(c2nc(C(=O)Nc4cnccc4N4CCNCC4)cs2)C3)CC1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNC4)cc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OC4CCNCC4)cc3C2=O)n1.

What is the InChIKey of 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is HREIKSFMEJFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3S.C26H29ClN6O4S.C26H29N7O3S.C26H28N6O4S.C25H27N7O3S.5CH4/c1-32-10-5-19(6-11-32)37-20-3-2-18-16-34(26(36)21(18)14-20)27-31-23(17-38-27)25(35)30-22-15-29-7-4-24(22)33-12-8-28-9-13-33;1-26(14-27,15-34)16-37-18-3-2-17-12-33(24(36)19(17)10-18)25-31-21(13-38-25)23(35)30-20-11-29-5-4-22(20)32-8-6-28-7-9-32;34-24(30-21-14-29-8-5-23(21)32-11-9-28-10-12-32)22-16-37-26(31-22)33-15-17-1-2-19(13-20(17)25(33)35)36-18-3-6-27-7-4-18;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;33-23(29-20-13-28-6-4-22(20)31-9-7-26-8-10-31)21-15-36-25(30-21)32-14-16-1-2-17(11-19(16)24(32)34)35-18-3-5-27-12-18;;;;;/h2-4,7,14-15,17,19,28H,5-6,8-13,16H2,1H3,(H,30,35);2-5,10-11,13,28,34H,6-9,12,14-16H2,1H3,(H,30,35);1-2,5,8,13-14,16,18,27-28H,3-4,6-7,9-12,15H2,(H,30,34);2-5,10-11,13,27H,6-9,12,14-16H2,1H3,(H,29,33);1-2,4,6,11,13,15,18,26-27H,3,5,7-10,12,14H2,(H,29,33);5*1H4.

What are the key properties of 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2716.80 g/mol, XLogP of 16.36, 34 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;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-[5-(1-methylpiperidin-4-yl)oxy-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-piperidin-4-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-5-pyrrolidin-3-yloxy-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158563489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).