4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole

C16H10N2O2S3 — CID 102262732

IUPAC4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc(-c3scc4c3OCCO4)c3nsnc23)c1
InChIInChI=1S/C16H10N2O2S3/c1-2-12(21-7-1)9-3-4-10(14-13(9)17-23-18-14)16-15-11(8-22-16)19-5-6-20-15/h1-4,7-8H,5-6H2
InChIKeyDHVXWQMUSXKSOH-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.92
Rot. Bonds2

About 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 102262732) has the molecular formula C16H10N2O2S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID102262732
Molecular FormulaC16H10N2O2S3
Molecular Weight358.47 g/mol
Exact Mass357.99
IUPAC Name4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc(-c3scc4c3OCCO4)c3nsnc23)c1
InChIInChI=1S/C16H10N2O2S3/c1-2-12(21-7-1)9-3-4-10(14-13(9)17-23-18-14)16-15-11(8-22-16)19-5-6-20-15/h1-4,7-8H,5-6H2
InChIKeyDHVXWQMUSXKSOH-UHFFFAOYSA-N
XLogP4.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole with MolForge

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Related Compounds

4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzothiadiazole-5,6-diamine
CID 59445275
2,4,7-tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1H-benzimidazole
CID 102263991
4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 91056962
4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 102029077
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-phenyl-1H-benzimidazole
CID 90391275
N,N-diphenyl-4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)aniline;N,N-diphenyl-4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)aniline
CID 158787180
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[benzimidazole-2,1'-cyclooctane]
CID 132566524
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-[1,2,5]selenadiazolo[3,4-c]pyridine
CID 122384326
N-phenyl-N-[4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)phenyl]-3-[3-(N-[4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)phenyl]anilino)phenyl]aniline
CID 138468981
5-[7'-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]-2'-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122374442
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-(3,4-dihydro-2H-thieno[3,4-b]pyran-7-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CID 159046507

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole (CID 102262732) is 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole is c1csc(-c2ccc(-c3scc4c3OCCO4)c3nsnc23)c1.
What is the InChIKey of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is DHVXWQMUSXKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S3/c1-2-12(21-7-1)9-3-4-10(14-13(9)17-23-18-14)16-15-11(8-22-16)19-5-6-20-15/h1-4,7-8H,5-6H2.
What are the key properties of 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 358.47 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 102262732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).