disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide

C60H53Cl4N4Na2O9S2- — CID 158380566

About disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide

disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide (PubChem CID 158380566) has the molecular formula C60H53Cl4N4Na2O9S2- and a molecular weight of 1226.03 g/mol. Its IUPAC name is disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide.

Molecular Properties

• Compound Name: disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide
• PubChem CID: 158380566
• Molecular Formula: C60H53Cl4N4Na2O9S2-
• Molecular Weight: 1226.03 g/mol
• Exact Mass: 1223.18
• IUPAC Name: disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide
• SMILES: Cc1cc(-c2snc(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)c(Cl)cc1-c1ccc(C2(C(=O)O)CC2)cc1.Cc1cc(-c2snc(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)c(Cl)cc1-c1ccc(C2([C-]=O)CC2)cc1.[Na+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C30H26Cl2N2O4S.C30H25Cl2N2O3S.2Na.2H2O/c1-16-14-23(25(32)15-22(16)19-8-10-20(11-9-19)30(12-13-30)28(35)36)27-26(17(2)34-39-27)33-29(37)38-18(3)21-6-4-5-7-24(21)31;1-17-14-24(26(32)15-23(17)20-8-10-21(11-9-20)30(16-35)12-13-30)28-27(18(2)34-38-28)33-29(36)37-19(3)22-6-4-5-7-25(22)31;;;;/h4-11,14-15,18H,12-13H2,1-3H3,(H,33,37)(H,35,36);4-11,14-15,19H,12-13H2,1-3H3,(H,33,36);;;2*1H2/q;-1;2*+1;;/p-2/t18-;19-;;;;/m11..../s1
• InChIKey: KWRHBDGHSLRAJM-KNAVWDQOSA-L
• XLogP: 11.33
• TPSA: 216.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.03
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide?

The IUPAC name of disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide (CID 158380566) is disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide.

What is the SMILES notation for disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide?

The canonical SMILES for disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide is Cc1cc(-c2snc(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)c(Cl)cc1-c1ccc(C2(C(=O)O)CC2)cc1.Cc1cc(-c2snc(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)c(Cl)cc1-c1ccc(C2([C-]=O)CC2)cc1.[Na+].[Na+].[OH-].[OH-].

What is the InChIKey of disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide?

The InChIKey is KWRHBDGHSLRAJM-KNAVWDQOSA-L. The full InChI is InChI=1S/C30H26Cl2N2O4S.C30H25Cl2N2O3S.2Na.2H2O/c1-16-14-23(25(32)15-22(16)19-8-10-20(11-9-19)30(12-13-30)28(35)36)27-26(17(2)34-39-27)33-29(37)38-18(3)21-6-4-5-7-24(21)31;1-17-14-24(26(32)15-23(17)20-8-10-21(11-9-20)30(16-35)12-13-30)28-27(18(2)34-38-28)33-29(36)37-19(3)22-6-4-5-7-25(22)31;;;;/h4-11,14-15,18H,12-13H2,1-3H3,(H,33,37)(H,35,36);4-11,14-15,19H,12-13H2,1-3H3,(H,33,36);;;2*1H2/q;-1;2*+1;;/p-2/t18-;19-;;;;/m11..../s1.

What are the key properties of disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide?

disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide has a molecular weight of 1226.03 g/mol, XLogP of 11.33, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;1-[4-[5-chloro-4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-thiazol-5-yl]-2-methylphenyl]phenyl]cyclopropane-1-carboxylic acid;[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[2-chloro-5-methyl-4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-3-methyl-1,2-thiazol-4-yl]carbamate;dihydroxide is sourced from PubChem (CID 158380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).