2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one

C17H15N3O3S — CID 118727810

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCN(c1ccc2c(c1)OCCO2)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C17H15N3O3S/c1-2-20(11-5-6-13-14(10-11)23-9-8-22-13)17-19-15(21)12-4-3-7-18-16(12)24-17/h3-7,10H,2,8-9H2,1H3
InChIKeyJRGOGRAYSRKEKX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.98
Rot. Bonds3

About 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one

2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 118727810) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID118727810
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCN(c1ccc2c(c1)OCCO2)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C17H15N3O3S/c1-2-20(11-5-6-13-14(10-11)23-9-8-22-13)17-19-15(21)12-4-3-7-18-16(12)24-17/h3-7,10H,2,8-9H2,1H3
InChIKeyJRGOGRAYSRKEKX-UHFFFAOYSA-N
XLogP2.98
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one (CID 118727810) is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one is CCN(c1ccc2c(c1)OCCO2)c1nc(=O)c2cccnc2s1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is JRGOGRAYSRKEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-20(11-5-6-13-14(10-11)23-9-8-22-13)17-19-15(21)12-4-3-7-18-16(12)24-17/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 118727810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).