[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone

C16H14N2O3S — CID 95776799

IUPAC[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone
SMILESO=C([C@H]1COc2ccccc2O1)N1CCSc2ncccc21
InChIInChI=1S/C16H14N2O3S/c19-16(14-10-20-12-5-1-2-6-13(12)21-14)18-8-9-22-15-11(18)4-3-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeyLVGWCOXFNBAFEI-CQSZACIVSA-N
MW314.37 g/mol
LogP2.36
Rot. Bonds1

About [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone

[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone (PubChem CID 95776799) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone
PubChem CID95776799
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone
SMILESO=C([C@H]1COc2ccccc2O1)N1CCSc2ncccc21
InChIInChI=1S/C16H14N2O3S/c19-16(14-10-20-12-5-1-2-6-13(12)21-14)18-8-9-22-15-11(18)4-3-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeyLVGWCOXFNBAFEI-CQSZACIVSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl-(2-ethyloxan-3-yl)methanone
CID 167888878
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123709048
(3S)-N-(2-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94641222
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553
2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
CID 65351120
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 41091020

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone?
The IUPAC name of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone (CID 95776799) is [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone.
What is the SMILES notation for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone?
The canonical SMILES for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone is O=C([C@H]1COc2ccccc2O1)N1CCSc2ncccc21.
What is the InChIKey of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone?
The InChIKey is LVGWCOXFNBAFEI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-16(14-10-20-12-5-1-2-6-13(12)21-14)18-8-9-22-15-11(18)4-3-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1.
What are the key properties of [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone?
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone has a molecular weight of 314.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)methanone is sourced from PubChem (CID 95776799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).