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

C24H19ClN4OS — CID 135683982

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

(E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 135683982) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
• PubChem CID: 135683982
• Molecular Formula: C24H19ClN4OS
• Molecular Weight: 446.96 g/mol
• Exact Mass: 446.10
• IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
• SMILES: Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccco2)cs/c1=N\c1cccc(Cl)c1C
• InChI: InChI=1S/C24H19ClN4OS/c1-15-19(25)8-5-10-20(15)28-24-29(22(14-31-24)23-11-6-12-30-23)26-13-18-16(2)27-21-9-4-3-7-17(18)21/h3-14,27H,1-2H3/b26-13+,28-24-
• InChIKey: IQWMWHUWACXJKI-VGBJIXNSSA-N
• XLogP: 6.68
• TPSA: 58.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.96
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine (CID 135683982) is (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine.

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

The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccco2)cs/c1=N\c1cccc(Cl)c1C.

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

The InChIKey is IQWMWHUWACXJKI-VGBJIXNSSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c1-15-19(25)8-5-10-20(15)28-24-29(22(14-31-24)23-11-6-12-30-23)26-13-18-16(2)27-21-9-4-3-7-17(18)21/h3-14,27H,1-2H3/b26-13+,28-24-.

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

(E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 446.96 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 135683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).