5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene

C37H43N5O3S — CID 143752379

About 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene

5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene (PubChem CID 143752379) has the molecular formula C37H43N5O3S and a molecular weight of 637.85 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene
• PubChem CID: 143752379
• Molecular Formula: C37H43N5O3S
• Molecular Weight: 637.85 g/mol
• Exact Mass: 637.31
• IUPAC Name: 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene
• SMILES: Cc1ccccc1.Cc1csc(CN(C)C(=O)c2cc(C(=O)NCCCNCc3cncc(C(C)C)c3)cc(-c3ccco3)c2)n1
• InChI: InChI=1S/C30H35N5O3S.C7H8/c1-20(2)26-11-22(16-32-17-26)15-31-8-6-9-33-29(36)24-12-23(27-7-5-10-38-27)13-25(14-24)30(37)35(4)18-28-34-21(3)19-39-28;1-7-5-3-2-4-6-7/h5,7,10-14,16-17,19-20,31H,6,8-9,15,18H2,1-4H3,(H,33,36);2-6H,1H3
• InChIKey: GURJSEPDLKJIMH-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.85
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene?

The IUPAC name of 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene (CID 143752379) is 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene.

What is the SMILES notation for 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene?

The canonical SMILES for 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene is Cc1ccccc1.Cc1csc(CN(C)C(=O)c2cc(C(=O)NCCCNCc3cncc(C(C)C)c3)cc(-c3ccco3)c2)n1.

What is the InChIKey of 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene?

The InChIKey is GURJSEPDLKJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3S.C7H8/c1-20(2)26-11-22(16-32-17-26)15-31-8-6-9-33-29(36)24-12-23(27-7-5-10-38-27)13-25(14-24)30(37)35(4)18-28-34-21(3)19-39-28;1-7-5-3-2-4-6-7/h5,7,10-14,16-17,19-20,31H,6,8-9,15,18H2,1-4H3,(H,33,36);2-6H,1H3.

What are the key properties of 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene?

5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene has a molecular weight of 637.85 g/mol, XLogP of 7.41, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[(5-propan-2-yl-3-pyridinyl)methylamino]propyl]benzene-1,3-dicarboxamide;toluene is sourced from PubChem (CID 143752379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).