(Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide

C25H22N4OS — CID 153245059

About (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide

(Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide (PubChem CID 153245059) has the molecular formula C25H22N4OS and a molecular weight of 426.55 g/mol. Its IUPAC name is (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide
• PubChem CID: 153245059
• Molecular Formula: C25H22N4OS
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.15
• IUPAC Name: (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide
• SMILES: C/C(=C/c1ccccc1)C(=O)Nc1ccc(C)c(Nc2nc(-c3cccnc3)cs2)c1
• InChI: InChI=1S/C25H22N4OS/c1-17-10-11-21(27-24(30)18(2)13-19-7-4-3-5-8-19)14-22(17)28-25-29-23(16-31-25)20-9-6-12-26-15-20/h3-16H,1-2H3,(H,27,30)(H,28,29)/b18-13-
• InChIKey: WSFBFZZKXBGBRF-AQTBWJFISA-N
• XLogP: 6.30
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	6.30
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 (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide?

The IUPAC name of (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide (CID 153245059) is (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide.

What is the SMILES notation for (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide?

The canonical SMILES for (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide is C/C(=C/c1ccccc1)C(=O)Nc1ccc(C)c(Nc2nc(-c3cccnc3)cs2)c1.

What is the InChIKey of (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide?

The InChIKey is WSFBFZZKXBGBRF-AQTBWJFISA-N. The full InChI is InChI=1S/C25H22N4OS/c1-17-10-11-21(27-24(30)18(2)13-19-7-4-3-5-8-19)14-22(17)28-25-29-23(16-31-25)20-9-6-12-26-15-20/h3-16H,1-2H3,(H,27,30)(H,28,29)/b18-13-.

What are the key properties of (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide?

(Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide has a molecular weight of 426.55 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 153245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).