3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide

C20H19N3O3S — CID 110624932

About 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110624932) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
• PubChem CID: 110624932
• Molecular Formula: C20H19N3O3S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.11
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
• SMILES: O=C(CCc1ccc2c(c1)OCO2)NCCc1csc(-c2ccccn2)n1
• InChI: InChI=1S/C20H19N3O3S/c24-19(7-5-14-4-6-17-18(11-14)26-13-25-17)22-10-8-15-12-27-20(23-15)16-3-1-2-9-21-16/h1-4,6,9,11-12H,5,7-8,10,13H2,(H,22,24)
• InChIKey: QPJWWMJSNGBPLF-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110624932) is 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCCc1csc(-c2ccccn2)n1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?

The InChIKey is QPJWWMJSNGBPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(7-5-14-4-6-17-18(11-14)26-13-25-17)22-10-8-15-12-27-20(23-15)16-3-1-2-9-21-16/h1-4,6,9,11-12H,5,7-8,10,13H2,(H,22,24).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?

3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 381.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).