sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

C84H95BrClN12NaO14S4 — CID 160795136

About sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide

sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (PubChem CID 160795136) has the molecular formula C84H95BrClN12NaO14S4 and a molecular weight of 1763.37 g/mol. Its IUPAC name is sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• PubChem CID: 160795136
• Molecular Formula: C84H95BrClN12NaO14S4
• Molecular Weight: 1763.37 g/mol
• Exact Mass: 1760.47
• IUPAC Name: sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide
• SMILES: BrCc1nccs1.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2nccs2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1nccs1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3nccs3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-]
• InChI: InChI=1S/C24H26N4O3S.C18H20N2O3S.C16H16N2O3S.C14H17NO3.C8H11ClN2O.C4H4BrNS.Na.H2O/c1-14-10-15(2)27-24(30)20(14)12-26-23(29)19-11-18-6-5-8-28(18)22(16(19)3)17(4)31-13-21-25-7-9-32-21;1-4-22-18(21)15-10-14-6-5-8-20(14)17(12(15)2)13(3)23-11-16-19-7-9-24-16;1-10-13(16(19)20)8-12-4-3-6-18(12)15(10)11(2)21-9-14-17-5-7-22-14;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;5-3-4-6-1-2-7-4;;/h5-11,17H,12-13H2,1-4H3,(H,26,29)(H,27,30);5-10,13H,4,11H2,1-3H3;3-8,11H,9H2,1-2H3,(H,19,20);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-2H,3H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: SCINHNYGMQLLQH-UHFFFAOYSA-M
• XLogP: 14.63
• TPSA: 343.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.37
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide (CID 160795136) is sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The canonical SMILES for sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is BrCc1nccs1.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2nccs2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1nccs1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3nccs3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-].

What is the InChIKey of sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

The InChIKey is SCINHNYGMQLLQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26N4O3S.C18H20N2O3S.C16H16N2O3S.C14H17NO3.C8H11ClN2O.C4H4BrNS.Na.H2O/c1-14-10-15(2)27-24(30)20(14)12-26-23(29)19-11-18-6-5-8-28(18)22(16(19)3)17(4)31-13-21-25-7-9-32-21;1-4-22-18(21)15-10-14-6-5-8-20(14)17(12(15)2)13(3)23-11-16-19-7-9-24-16;1-10-13(16(19)20)8-12-4-3-6-18(12)15(10)11(2)21-9-14-17-5-7-22-14;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;5-3-4-6-1-2-7-4;;/h5-11,17H,12-13H2,1-4H3,(H,26,29)(H,27,30);5-10,13H,4,11H2,1-3H3;3-8,11H,9H2,1-2H3,(H,19,20);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-2H,3H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide?

sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1763.37 g/mol, XLogP of 14.63, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(bromomethyl)-1,3-thiazole;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylate;6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 160795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).