N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C17H19N3O5S2 — CID 55368463

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55368463) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
• PubChem CID: 55368463
• Molecular Formula: C17H19N3O5S2
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.08
• IUPAC Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
• SMILES: O=C(CSCC(=O)N1CCOCC1)Nc1nc2cc3c(cc2s1)OCCO3
• InChI: InChI=1S/C17H19N3O5S2/c21-15(9-26-10-16(22)20-1-3-23-4-2-20)19-17-18-11-7-12-13(8-14(11)27-17)25-6-5-24-12/h7-8H,1-6,9-10H2,(H,18,19,21)
• InChIKey: XARCCHIBKHKIFO-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?

The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55368463) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?

The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)Nc1nc2cc3c(cc2s1)OCCO3.

What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?

The InChIKey is XARCCHIBKHKIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c21-15(9-26-10-16(22)20-1-3-23-4-2-20)19-17-18-11-7-12-13(8-14(11)27-17)25-6-5-24-12/h7-8H,1-6,9-10H2,(H,18,19,21).

What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 409.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55368463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).