2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide

C24H21FN2O3S2 — CID 52700925

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 52700925) has the molecular formula C24H21FN2O3S2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 52700925
• Molecular Formula: C24H21FN2O3S2
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.10
• IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
• SMILES: COc1ccc(-c2nc(CC(=O)N(Cc3cccs3)c3ccc(F)cc3)cs2)cc1OC
• InChI: InChI=1S/C24H21FN2O3S2/c1-29-21-10-5-16(12-22(21)30-2)24-26-18(15-32-24)13-23(28)27(14-20-4-3-11-31-20)19-8-6-17(25)7-9-19/h3-12,15H,13-14H2,1-2H3
• InChIKey: YFHZTMBCUKNOAI-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 51.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 52700925) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(-c2nc(CC(=O)N(Cc3cccs3)c3ccc(F)cc3)cs2)cc1OC.

What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is YFHZTMBCUKNOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S2/c1-29-21-10-5-16(12-22(21)30-2)24-26-18(15-32-24)13-23(28)27(14-20-4-3-11-31-20)19-8-6-17(25)7-9-19/h3-12,15H,13-14H2,1-2H3.

What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide?

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 52700925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).