(E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C23H20N4O2S — CID 60613133

About (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 60613133) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 60613133
• Molecular Formula: C23H20N4O2S
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.13
• IUPAC Name: (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• SMILES: Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cs1
• InChI: InChI=1S/C23H20N4O2S/c1-16-26-20(15-30-16)14-29-21-5-3-2-4-17(21)8-11-22(28)27-19-9-6-18(7-10-19)23-24-12-13-25-23/h2-13,15H,14H2,1H3,(H,24,25)(H,27,28)/b11-8+
• InChIKey: AULJTWHBUUMPSM-DHZHZOJOSA-N
• XLogP: 5.07
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 60613133) is (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cs1.

What is the InChIKey of (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The InChIKey is AULJTWHBUUMPSM-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-16-26-20(15-30-16)14-29-21-5-3-2-4-17(21)8-11-22(28)27-19-9-6-18(7-10-19)23-24-12-13-25-23/h2-13,15H,14H2,1H3,(H,24,25)(H,27,28)/b11-8+.

What are the key properties of (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

(E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 416.51 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 60613133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).