N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide

C25H29N3O5S — CID 22459383

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 22459383) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 22459383
• Molecular Formula: C25H29N3O5S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.18
• IUPAC Name: N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide
• SMILES: CCN(CC)CCOc1cc(NC(=O)c2csc(C3COc4ccccc4O3)n2)ccc1OC
• InChI: InChI=1S/C25H29N3O5S/c1-4-28(5-2)12-13-31-22-14-17(10-11-19(22)30-3)26-24(29)18-16-34-25(27-18)23-15-32-20-8-6-7-9-21(20)33-23/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H,26,29)
• InChIKey: FQCWGCQXRWTKIO-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide (CID 22459383) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide is CCN(CC)CCOc1cc(NC(=O)c2csc(C3COc4ccccc4O3)n2)ccc1OC.

What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is FQCWGCQXRWTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-4-28(5-2)12-13-31-22-14-17(10-11-19(22)30-3)26-24(29)18-16-34-25(27-18)23-15-32-20-8-6-7-9-21(20)33-23/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H,26,29).

What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide?

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).