2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C18H20N2O4S — CID 166506910

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN(C(=O)COc1cccc2c1OCCO2)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H20N2O4S/c1-20(18-19-12-5-2-3-8-15(12)25-18)16(21)11-24-14-7-4-6-13-17(14)23-10-9-22-13/h4,6-7H,2-3,5,8-11H2,1H3
InChIKeyXBDABYZFZFZKDE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.83
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 166506910) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID166506910
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN(C(=O)COc1cccc2c1OCCO2)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H20N2O4S/c1-20(18-19-12-5-2-3-8-15(12)25-18)16(21)11-24-14-7-4-6-13-17(14)23-10-9-22-13/h4,6-7H,2-3,5,8-11H2,1H3
InChIKeyXBDABYZFZFZKDE-UHFFFAOYSA-N
XLogP2.83
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 166506910) is 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CN(C(=O)COc1cccc2c1OCCO2)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XBDABYZFZFZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-20(18-19-12-5-2-3-8-15(12)25-18)16(21)11-24-14-7-4-6-13-17(14)23-10-9-22-13/h4,6-7H,2-3,5,8-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 166506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).