(E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide

C27H24N2O3S — CID 19228487

About (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide

(E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 19228487) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 19228487
• Molecular Formula: C27H24N2O3S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.15
• IUPAC Name: (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
• SMILES: COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)n1
• InChI: InChI=1S/C27H24N2O3S/c1-19-7-9-21(10-8-19)17-32-22-14-11-20(12-15-22)13-16-26(30)29-27-28-24(18-33-27)23-5-3-4-6-25(23)31-2/h3-16,18H,17H2,1-2H3,(H,28,29,30)/b16-13+
• InChIKey: WQHLQKPBHADYMQ-DTQAZKPQSA-N
• XLogP: 6.36
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
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-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide (CID 19228487) is (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide is COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)n1.

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

The InChIKey is WQHLQKPBHADYMQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-19-7-9-21(10-8-19)17-32-22-14-11-20(12-15-22)13-16-26(30)29-27-28-24(18-33-27)23-5-3-4-6-25(23)31-2/h3-16,18H,17H2,1-2H3,(H,28,29,30)/b16-13+.

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

(E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 456.57 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 19228487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).