[2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone

C18H21N3O4S — CID 167922901

About [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone

[2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 167922901) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 167922901
• Molecular Formula: C18H21N3O4S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.13
• IUPAC Name: [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
• SMILES: CC(N)C1CN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CCO1
• InChI: InChI=1S/C18H21N3O4S/c1-11(19)16-9-21(4-5-23-16)18(22)13-10-26-17(20-13)12-2-3-14-15(8-12)25-7-6-24-14/h2-3,8,10-11,16H,4-7,9,19H2,1H3
• InChIKey: IAQWNYGTAHEGSU-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 86.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone (CID 167922901) is [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone is CC(N)C1CN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CCO1.

What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone?

The InChIKey is IAQWNYGTAHEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11(19)16-9-21(4-5-23-16)18(22)13-10-26-17(20-13)12-2-3-14-15(8-12)25-7-6-24-14/h2-3,8,10-11,16H,4-7,9,19H2,1H3.

What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone?

[2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 375.45 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-aminoethyl)morpholin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 167922901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).