3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

C19H22N2O3S — CID 110305047

About 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110305047) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
• PubChem CID: 110305047
• Molecular Formula: C19H22N2O3S
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.14
• IUPAC Name: 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
• SMILES: O=C(CC(c1ccc2c(c1)OCCO2)C1CC1)NCCc1cscn1
• InChI: InChI=1S/C19H22N2O3S/c22-19(20-6-5-15-11-25-12-21-15)10-16(13-1-2-13)14-3-4-17-18(9-14)24-8-7-23-17/h3-4,9,11-13,16H,1-2,5-8,10H2,(H,20,22)
• InChIKey: LIIFJDCMGCYYPZ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?

The IUPAC name of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 110305047) is 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

What is the SMILES notation for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?

The canonical SMILES for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is O=C(CC(c1ccc2c(c1)OCCO2)C1CC1)NCCc1cscn1.

What is the InChIKey of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?

The InChIKey is LIIFJDCMGCYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-6-5-15-11-25-12-21-15)10-16(13-1-2-13)14-3-4-17-18(9-14)24-8-7-23-17/h3-4,9,11-13,16H,1-2,5-8,10H2,(H,20,22).

What are the key properties of 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?

3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).