lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide

C105H97BCl8I2LiN7O18S4 — CID 158441784

About lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide

lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide (PubChem CID 158441784) has the molecular formula C105H97BCl8I2LiN7O18S4 and a molecular weight of 2428.41 g/mol. Its IUPAC name is lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide
• PubChem CID: 158441784
• Molecular Formula: C105H97BCl8I2LiN7O18S4
• Molecular Weight: 2428.41 g/mol
• Exact Mass: 2423.16
• IUPAC Name: lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide
• SMILES: C.COC(=O)C1(c2ccc(-c3ccc(-c4snc(C)c4NC(=O)OCc4cccc(Cl)c4Cl)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CC1.Cc1nsc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OCc1cccc(Cl)c1Cl.Cc1nsc(I)c1C(=O)O.Cc1nsc(I)c1NC(=O)OCc1cccc(Cl)c1Cl.OCc1cccc(Cl)c1Cl.[Li+].[OH-]
• InChI: InChI=1S/C29H24Cl2N2O4S.C28H22Cl2N2O4S.C23H27BO4.C12H9Cl2IN2O2S.C7H6Cl2O.C5H4INO2S.CH4.Li.H2O/c1-17-25(32-28(35)37-16-21-4-3-5-23(30)24(21)31)26(38-33-17)20-8-6-18(7-9-20)19-10-12-22(13-11-19)29(14-15-29)27(34)36-2;1-16-24(31-27(35)36-15-20-3-2-4-22(29)23(20)30)25(37-32-16)19-7-5-17(6-8-19)18-9-11-21(12-10-18)28(13-14-28)26(33)34;1-21(2)22(3,4)28-24(27-21)19-12-8-17(9-13-19)16-6-10-18(11-7-16)23(14-15-23)20(25)26-5;1-6-10(11(15)20-17-6)16-12(18)19-5-7-3-2-4-8(13)9(7)14;8-6-3-1-2-5(4-10)7(6)9;1-2-3(5(8)9)4(6)10-7-2;;;/h3-13H,14-16H2,1-2H3,(H,32,35);2-12H,13-15H2,1H3,(H,31,35)(H,33,34);6-13H,14-15H2,1-5H3;2-4H,5H2,1H3,(H,16,18);1-3,10H,4H2;1H3,(H,8,9);1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: HCXGMSLHQNPZTM-UHFFFAOYSA-M
• XLogP: 26.68
• TPSA: 362.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2428.41
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide?

The IUPAC name of lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide (CID 158441784) is lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide.

What is the SMILES notation for lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide?

The canonical SMILES for lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide is C.COC(=O)C1(c2ccc(-c3ccc(-c4snc(C)c4NC(=O)OCc4cccc(Cl)c4Cl)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)CC1.Cc1nsc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OCc1cccc(Cl)c1Cl.Cc1nsc(I)c1C(=O)O.Cc1nsc(I)c1NC(=O)OCc1cccc(Cl)c1Cl.OCc1cccc(Cl)c1Cl.[Li+].[OH-].

What is the InChIKey of lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide?

The InChIKey is HCXGMSLHQNPZTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H24Cl2N2O4S.C28H22Cl2N2O4S.C23H27BO4.C12H9Cl2IN2O2S.C7H6Cl2O.C5H4INO2S.CH4.Li.H2O/c1-17-25(32-28(35)37-16-21-4-3-5-23(30)24(21)31)26(38-33-17)20-8-6-18(7-9-20)19-10-12-22(13-11-19)29(14-15-29)27(34)36-2;1-16-24(31-27(35)36-15-20-3-2-4-22(29)23(20)30)25(37-32-16)19-7-5-17(6-8-19)18-9-11-21(12-10-18)28(13-14-28)26(33)34;1-21(2)22(3,4)28-24(27-21)19-12-8-17(9-13-19)16-6-10-18(11-7-16)23(14-15-23)20(25)26-5;1-6-10(11(15)20-17-6)16-12(18)19-5-7-3-2-4-8(13)9(7)14;8-6-3-1-2-5(4-10)7(6)9;1-2-3(5(8)9)4(6)10-7-2;;;/h3-13H,14-16H2,1-2H3,(H,32,35);2-12H,13-15H2,1H3,(H,31,35)(H,33,34);6-13H,14-15H2,1-5H3;2-4H,5H2,1H3,(H,16,18);1-3,10H,4H2;1H3,(H,8,9);1H4;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide?

lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide has a molecular weight of 2428.41 g/mol, XLogP of 26.68, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2,3-dichlorophenyl)methanol;1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(2,3-dichlorophenyl)methyl N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;5-iodo-3-methyl-1,2-thiazole-4-carboxylic acid;methane;methyl 1-[4-[4-[4-[(2,3-dichlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate;hydroxide is sourced from PubChem (CID 158441784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).