3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

C22H22N2O3S — CID 24555597

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24555597) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 24555597
• Molecular Formula: C22H22N2O3S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.14
• IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)CCc3ccc4c(c3)OCCO4)s2)cc1
• InChI: InChI=1S/C22H22N2O3S/c1-15-2-4-16(5-3-15)12-18-14-23-22(28-18)24-21(25)9-7-17-6-8-19-20(13-17)27-11-10-26-19/h2-6,8,13-14H,7,9-12H2,1H3,(H,23,24,25)
• InChIKey: GSOXXDWHIJTVSM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 24555597) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is Cc1ccc(Cc2cnc(NC(=O)CCc3ccc4c(c3)OCCO4)s2)cc1.

What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is GSOXXDWHIJTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-2-4-16(5-3-15)12-18-14-23-22(28-18)24-21(25)9-7-17-6-8-19-20(13-17)27-11-10-26-19/h2-6,8,13-14H,7,9-12H2,1H3,(H,23,24,25).

What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 394.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).