N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide

C24H25N3O6S — CID 27833664

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 27833664) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide
• PubChem CID: 27833664
• Molecular Formula: C24H25N3O6S
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.15
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1
• InChI: InChI=1S/C24H25N3O6S/c1-4-27(13-22(28)25-16-6-8-19-21(12-16)33-10-9-32-19)24(29)17-14-34-23(26-17)15-5-7-18(30-2)20(11-15)31-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,25,28)
• InChIKey: NOQVFGJFKFHHSW-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 99.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 27833664) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?

The InChIKey is NOQVFGJFKFHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-4-27(13-22(28)25-16-6-8-19-21(12-16)33-10-9-32-19)24(29)17-14-34-23(26-17)15-5-7-18(30-2)20(11-15)31-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,25,28).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27833664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).