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

C19H18N2O3S2 — CID 17494811

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 17494811) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 17494811
• Molecular Formula: C19H18N2O3S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.08
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: O=C(Cc1csc(-c2cccs2)n1)NCCc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C19H18N2O3S2/c22-18(11-14-12-26-19(21-14)17-2-1-9-25-17)20-6-5-13-3-4-15-16(10-13)24-8-7-23-15/h1-4,9-10,12H,5-8,11H2,(H,20,22)
• InChIKey: TZHUDAUYGIRBBF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 17494811) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

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

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCCc1ccc2c(c1)OCCO2.

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

The InChIKey is TZHUDAUYGIRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-18(11-14-12-26-19(21-14)17-2-1-9-25-17)20-6-5-13-3-4-15-16(10-13)24-8-7-23-15/h1-4,9-10,12H,5-8,11H2,(H,20,22).

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 17494811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).