2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone

C11H8N2O3S — CID 105094278

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1csnn1
InChIInChI=1S/C11H8N2O3S/c14-11(8-6-17-13-12-8)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5-6H,3-4H2
InChIKeyVNKBUCPLZXLEFI-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.54
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone (PubChem CID 105094278) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone
PubChem CID105094278
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1csnn1
InChIInChI=1S/C11H8N2O3S/c14-11(8-6-17-13-12-8)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5-6H,3-4H2
InChIKeyVNKBUCPLZXLEFI-UHFFFAOYSA-N
XLogP1.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 47203639
2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
CID 63840653
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
CID 43462591
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81154316
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-2-pyridinyl)methanone
CID 79722939
5-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)furan-2-carboxylic acid
CID 97034694
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-propylthiadiazol-5-yl)methanone
CID 105096105
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone (CID 105094278) is 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone is O=C(c1ccc2c(c1)OCCO2)c1csnn1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone?
The InChIKey is VNKBUCPLZXLEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-11(8-6-17-13-12-8)7-1-2-9-10(5-7)16-4-3-15-9/h1-2,5-6H,3-4H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone has a molecular weight of 248.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105094278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).