N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride

C29H45Cl2N5O3S — CID 66784213

About N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride

N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride (PubChem CID 66784213) has the molecular formula C29H45Cl2N5O3S and a molecular weight of 614.68 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride
• PubChem CID: 66784213
• Molecular Formula: C29H45Cl2N5O3S
• Molecular Weight: 614.68 g/mol
• Exact Mass: 613.26
• IUPAC Name: N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride
• SMILES: CN(C)Cc1ccc(CN2CCSC2=NNC(=O)C(=O)C(NC(=O)C2CCCCC2)C2CCCCC2)cc1.Cl.Cl
• InChI: InChI=1S/C29H43N5O3S.2ClH/c1-33(2)19-21-13-15-22(16-14-21)20-34-17-18-38-29(34)32-31-28(37)26(35)25(23-9-5-3-6-10-23)30-27(36)24-11-7-4-8-12-24;;/h13-16,23-25H,3-12,17-20H2,1-2H3,(H,30,36)(H,31,37);2*1H
• InChIKey: SOJWUTHATPUEIB-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 94.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.68
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride?

The IUPAC name of N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride (CID 66784213) is N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride.

What is the SMILES notation for N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride?

The canonical SMILES for N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride is CN(C)Cc1ccc(CN2CCSC2=NNC(=O)C(=O)C(NC(=O)C2CCCCC2)C2CCCCC2)cc1.Cl.Cl.

What is the InChIKey of N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride?

The InChIKey is SOJWUTHATPUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O3S.2ClH/c1-33(2)19-21-13-15-22(16-14-21)20-34-17-18-38-29(34)32-31-28(37)26(35)25(23-9-5-3-6-10-23)30-27(36)24-11-7-4-8-12-24;;/h13-16,23-25H,3-12,17-20H2,1-2H3,(H,30,36)(H,31,37);2*1H.

What are the key properties of N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride?

N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride has a molecular weight of 614.68 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-[2-[3-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-thiazolidin-2-ylidene]hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;dihydrochloride is sourced from PubChem (CID 66784213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).