N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C21H23N3O3S — CID 110648739

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110648739) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 110648739
• Molecular Formula: C21H23N3O3S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.15
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: COc1ccc(CCNC(=O)CCc2nc(-c3ccccn3)cs2)cc1OC
• InChI: InChI=1S/C21H23N3O3S/c1-26-18-7-6-15(13-19(18)27-2)10-12-23-20(25)8-9-21-24-17(14-28-21)16-5-3-4-11-22-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,23,25)
• InChIKey: IMGRYJMIWYHXIQ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110648739) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

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

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is COc1ccc(CCNC(=O)CCc2nc(-c3ccccn3)cs2)cc1OC.

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

The InChIKey is IMGRYJMIWYHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-26-18-7-6-15(13-19(18)27-2)10-12-23-20(25)8-9-21-24-17(14-28-21)16-5-3-4-11-22-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H,23,25).

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 397.50 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110648739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).