2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone

C16H11NO3S — CID 81154316

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1cnc2ccsc2c1
InChIInChI=1S/C16H11NO3S/c18-16(11-8-15-12(17-9-11)3-6-21-15)10-1-2-13-14(7-10)20-5-4-19-13/h1-3,6-9H,4-5H2
InChIKeySYPJXGPCPXHAHP-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.30
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone (PubChem CID 81154316) has the molecular formula C16H11NO3S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
PubChem CID81154316
Molecular FormulaC16H11NO3S
Molecular Weight297.33 g/mol
Exact Mass297.05
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)c1cnc2ccsc2c1
InChIInChI=1S/C16H11NO3S/c18-16(11-8-15-12(17-9-11)3-6-21-15)10-1-2-13-14(7-10)20-5-4-19-13/h1-3,6-9H,4-5H2
InChIKeySYPJXGPCPXHAHP-UHFFFAOYSA-N
XLogP3.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
CID 81147088
pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81144115
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
CID 43462591
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-(3-methoxythiophen-2-yl)methanone
CID 81127963
[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(thiadiazol-4-yl)methanone
CID 105094278
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63797718
(2,3-difluorophenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148270
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone (CID 81154316) is 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone is O=C(c1ccc2c(c1)OCCO2)c1cnc2ccsc2c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone?
The InChIKey is SYPJXGPCPXHAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-16(11-8-15-12(17-9-11)3-6-21-15)10-1-2-13-14(7-10)20-5-4-19-13/h1-3,6-9H,4-5H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone has a molecular weight of 297.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone is sourced from PubChem (CID 81154316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).