carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide

C180H162BrI8N19O18S9 — CID 158301505

About carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide

carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide (PubChem CID 158301505) has the molecular formula C180H162BrI8N19O18S9 and a molecular weight of 4263.13 g/mol. Its IUPAC name is carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide.

Molecular Properties

• Compound Name: carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide
• PubChem CID: 158301505
• Molecular Formula: C180H162BrI8N19O18S9
• Molecular Weight: 4263.13 g/mol
• Exact Mass: 4259.14
• IUPAC Name: carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide
• SMILES: COc1ccc([I+]c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1.COc1ccc2nc(NC(=O)c3ccc([I+]c4ccc(C)cc4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([I+]c4ccccc4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([I+]c4cccs4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([I+]c4ccc(C)cc4)c3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([I+]c4ccccc4)c3)sc2c1.COc1cccc([I+]c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)c1.Cc1ccc2nc(NC(=O)c3ccc([I+]c4ccc(N(C)C(=O)N(C)C)cc4)cn3)sc2c1.[Br-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C24H22IN5O2S.2C22H17IN2O3S.2C22H17IN2O2S.2C21H15IN2O2S.C19H13IN2O2S2.7CH3.BrH/c1-15-5-11-19-21(13-15)33-23(27-19)28-22(31)20-12-8-17(14-26-20)25-16-6-9-18(10-7-16)30(4)24(32)29(2)3;1-27-17-9-7-16(8-10-17)23-15-5-3-14(4-6-15)21(26)25-22-24-19-12-11-18(28-2)13-20(19)29-22;1-27-17-5-3-4-16(12-17)23-15-8-6-14(7-9-15)21(26)25-22-24-19-11-10-18(28-2)13-20(19)29-22;1-14-3-7-16(8-4-14)23-17-9-5-15(6-10-17)21(26)25-22-24-19-12-11-18(27-2)13-20(19)28-22;1-14-6-8-16(9-7-14)23-17-5-3-4-15(12-17)21(26)25-22-24-19-11-10-18(27-2)13-20(19)28-22;1-26-17-10-11-18-19(13-17)27-21(23-18)24-20(25)14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;1-26-17-11-12-18-19(13-17)27-21(23-18)24-20(25)14-7-9-16(10-8-14)22-15-5-3-2-4-6-15;1-24-14-8-9-15-16(11-14)26-19(21-15)22-18(23)12-4-6-13(7-5-12)20-17-3-2-10-25-17;;;;;;;;/h5-14H,1-4H3;2*3-13H,1-2H3;2*3-13H,1-2H3;2*2-13H,1H3;2-11H,1H3;7*1H3;1H/q;;;;;;;;7*-1;/p+7
• InChIKey: HUTHTOFMFGHOLE-UHFFFAOYSA-U
• XLogP: 14.15
• TPSA: 455.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4263.13
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide?

The IUPAC name of carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide (CID 158301505) is carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide.

What is the SMILES notation for carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide?

The canonical SMILES for carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide is COc1ccc([I+]c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1.COc1ccc2nc(NC(=O)c3ccc([I+]c4ccc(C)cc4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([I+]c4ccccc4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3ccc([I+]c4cccs4)cc3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([I+]c4ccc(C)cc4)c3)sc2c1.COc1ccc2nc(NC(=O)c3cccc([I+]c4ccccc4)c3)sc2c1.COc1cccc([I+]c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)c1.Cc1ccc2nc(NC(=O)c3ccc([I+]c4ccc(N(C)C(=O)N(C)C)cc4)cn3)sc2c1.[Br-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide?

The InChIKey is HUTHTOFMFGHOLE-UHFFFAOYSA-U. The full InChI is InChI=1S/C24H22IN5O2S.2C22H17IN2O3S.2C22H17IN2O2S.2C21H15IN2O2S.C19H13IN2O2S2.7CH3.BrH/c1-15-5-11-19-21(13-15)33-23(27-19)28-22(31)20-12-8-17(14-26-20)25-16-6-9-18(10-7-16)30(4)24(32)29(2)3;1-27-17-9-7-16(8-10-17)23-15-5-3-14(4-6-15)21(26)25-22-24-19-12-11-18(28-2)13-20(19)29-22;1-27-17-5-3-4-16(12-17)23-15-8-6-14(7-9-15)21(26)25-22-24-19-11-10-18(28-2)13-20(19)29-22;1-14-3-7-16(8-4-14)23-17-9-5-15(6-10-17)21(26)25-22-24-19-12-11-18(27-2)13-20(19)28-22;1-14-6-8-16(9-7-14)23-17-5-3-4-15(12-17)21(26)25-22-24-19-11-10-18(27-2)13-20(19)28-22;1-26-17-10-11-18-19(13-17)27-21(23-18)24-20(25)14-6-5-9-16(12-14)22-15-7-3-2-4-8-15;1-26-17-11-12-18-19(13-17)27-21(23-18)24-20(25)14-7-9-16(10-8-14)22-15-5-3-2-4-6-15;1-24-14-8-9-15-16(11-14)26-19(21-15)22-18(23)12-4-6-13(7-5-12)20-17-3-2-10-25-17;;;;;;;;/h5-14H,1-4H3;2*3-13H,1-2H3;2*3-13H,1-2H3;2*2-13H,1H3;2-11H,1H3;7*1H3;1H/q;;;;;;;;7*-1;/p+7.

What are the key properties of carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide?

carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide has a molecular weight of 4263.13 g/mol, XLogP of 14.15, 42 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[4-[dimethylcarbamoyl(methyl)amino]phenyl]-[6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-pyridinyl]iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methoxyphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methoxyphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(4-methylphenyl)iodanium;[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-phenyliodanium;[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-thiophen-2-yliodanium;bromide is sourced from PubChem (CID 158301505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).