methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C77H93N21O11S3 — CID 157117016

About methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 157117016) has the molecular formula C77H93N21O11S3 and a molecular weight of 1584.93 g/mol. Its IUPAC name is methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157117016
• Molecular Formula: C77H93N21O11S3
• Molecular Weight: 1584.93 g/mol
• Exact Mass: 1583.65
• IUPAC Name: methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.COc1ccc2c(c1)n(-c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)c(=O)n2C.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccc(OCC3CCCO3)cc21.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccc(OCC3(C)COC3)c21
• InChI: InChI=1S/2C26H29N7O4S.C22H23N7O3S.3CH4/c1-26(14-36-15-26)16-37-21-5-3-4-20-22(21)31(2)25(35)33(20)24-30-18(13-38-24)23(34)29-17-12-28-7-6-19(17)32-10-8-27-9-11-32;1-31-23-13-17(37-15-18-3-2-12-36-18)4-5-22(23)33(26(31)35)25-30-20(16-38-25)24(34)29-19-14-28-7-6-21(19)32-10-8-27-9-11-32;1-27-18-4-3-14(32-2)11-19(18)29(22(27)31)21-26-16(13-33-21)20(30)25-15-12-24-6-5-17(15)28-9-7-23-8-10-28;;;/h3-7,12-13,27H,8-11,14-16H2,1-2H3,(H,29,34);4-7,13-14,16,18,27H,2-3,8-12,15H2,1H3,(H,29,34);3-6,11-13,23H,7-10H2,1-2H3,(H,25,30);3*1H4
• InChIKey: AHNHVLFUMANNFS-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 337.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.93
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 157117016) is methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is C.C.C.COc1ccc2c(c1)n(-c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)c(=O)n2C.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccc(OCC3CCCO3)cc21.Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccc(OCC3(C)COC3)c21.

What is the InChIKey of methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is AHNHVLFUMANNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29N7O4S.C22H23N7O3S.3CH4/c1-26(14-36-15-26)16-37-21-5-3-4-20-22(21)31(2)25(35)33(20)24-30-18(13-38-24)23(34)29-17-12-28-7-6-19(17)32-10-8-27-9-11-32;1-31-23-13-17(37-15-18-3-2-12-36-18)4-5-22(23)33(26(31)35)25-30-20(16-38-25)24(34)29-19-14-28-7-6-21(19)32-10-8-27-9-11-32;1-27-18-4-3-14(32-2)11-19(18)29(22(27)31)21-26-16(13-33-21)20(30)25-15-12-24-6-5-17(15)28-9-7-23-8-10-28;;;/h3-7,12-13,27H,8-11,14-16H2,1-2H3,(H,29,34);4-7,13-14,16,18,27H,2-3,8-12,15H2,1H3,(H,29,34);3-6,11-13,23H,7-10H2,1-2H3,(H,25,30);3*1H4.

What are the key properties of methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1584.93 g/mol, XLogP of 8.42, 19 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[3-methyl-2-oxo-5-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157117016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).