(Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide

C20H14F4N2O2S — CID 56506988

About (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide

(Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide (PubChem CID 56506988) has the molecular formula C20H14F4N2O2S and a molecular weight of 422.40 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide.

Molecular Properties

• Compound Name: (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide
• PubChem CID: 56506988
• Molecular Formula: C20H14F4N2O2S
• Molecular Weight: 422.40 g/mol
• Exact Mass: 422.07
• IUPAC Name: (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)n1
• InChI: InChI=1S/C20H14F4N2O2S/c1-28-17-8-7-13(21)9-14(17)16-11-29-19(25-16)26-18(27)10-15(20(22,23)24)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,26,27)/b15-10-
• InChIKey: YZLHJHICDKYUFR-GDNBJRDFSA-N
• XLogP: 5.54
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.40
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide?

The IUPAC name of (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide (CID 56506988) is (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide.

What is the SMILES notation for (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide?

The canonical SMILES for (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide is COc1ccc(F)cc1-c1csc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)n1.

What is the InChIKey of (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide?

The InChIKey is YZLHJHICDKYUFR-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H14F4N2O2S/c1-28-17-8-7-13(21)9-14(17)16-11-29-19(25-16)26-18(27)10-15(20(22,23)24)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,26,27)/b15-10-.

What are the key properties of (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide?

(Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide has a molecular weight of 422.40 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide is sourced from PubChem (CID 56506988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).