4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

C24H20N4O2S — CID 135584364

About 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine

4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 135584364) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
• PubChem CID: 135584364
• Molecular Formula: C24H20N4O2S
• Molecular Weight: 428.52 g/mol
• Exact Mass: 428.13
• IUPAC Name: 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
• SMILES: COc1cccc(/N=c2\scc(-c3ccco3)n2N=Cc2c(C)[nH]c3ccccc23)c1
• InChI: InChI=1S/C24H20N4O2S/c1-16-20(19-9-3-4-10-21(19)26-16)14-25-28-22(23-11-6-12-30-23)15-31-24(28)27-17-7-5-8-18(13-17)29-2/h3-15,26H,1-2H3/b25-14?,27-24-
• InChIKey: XBUVTSKAHDQLQM-VIJLLGLJSA-N
• XLogP: 5.72
• TPSA: 67.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.52
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?

The IUPAC name of 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (CID 135584364) is 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?

The canonical SMILES for 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(-c3ccco3)n2N=Cc2c(C)[nH]c3ccccc23)c1.

What is the InChIKey of 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?

The InChIKey is XBUVTSKAHDQLQM-VIJLLGLJSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-16-20(19-9-3-4-10-21(19)26-16)14-25-28-22(23-11-6-12-30-23)15-31-24(28)27-17-7-5-8-18(13-17)29-2/h3-15,26H,1-2H3/b25-14?,27-24-.

What are the key properties of 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine?

4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 428.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-N-(3-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 135584364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).