1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

C15H18N2O3S — CID 61280625

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 61280625) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
• PubChem CID: 61280625
• Molecular Formula: C15H18N2O3S
• Molecular Weight: 306.39 g/mol
• Exact Mass: 306.10
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
• SMILES: Cc1ncc(CNCC(O)c2ccc3c(c2)OCCO3)s1
• InChI: InChI=1S/C15H18N2O3S/c1-10-17-8-12(21-10)7-16-9-13(18)11-2-3-14-15(6-11)20-5-4-19-14/h2-3,6,8,13,16,18H,4-5,7,9H2,1H3
• InChIKey: LWAFJBIJOCXUDF-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 63.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.39
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (CID 61280625) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.

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

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is Cc1ncc(CNCC(O)c2ccc3c(c2)OCCO3)s1.

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

The InChIKey is LWAFJBIJOCXUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-17-8-12(21-10)7-16-9-13(18)11-2-3-14-15(6-11)20-5-4-19-14/h2-3,6,8,13,16,18H,4-5,7,9H2,1H3.

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 306.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 61280625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).