3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H21FN2O4S — CID 55550029

About 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55550029) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 55550029
• Molecular Formula: C21H21FN2O4S
• Molecular Weight: 416.47 g/mol
• Exact Mass: 416.12
• IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
• SMILES: COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)c1
• InChI: InChI=1S/C21H21FN2O4S/c1-26-15-6-8-18(27-2)14(10-15)5-9-20(25)24-21-23-17(12-29-21)13-4-7-19(28-3)16(22)11-13/h4,6-8,10-12H,5,9H2,1-3H3,(H,23,24,25)
• InChIKey: XTSGGLUKJGSYSY-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.47
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 55550029) is 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)c1.

What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is XTSGGLUKJGSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-26-15-6-8-18(27-2)14(10-15)5-9-20(25)24-21-23-17(12-29-21)13-4-7-19(28-3)16(22)11-13/h4,6-8,10-12H,5,9H2,1-3H3,(H,23,24,25).

What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 416.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55550029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).