1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone

C11H11N3OS2 — CID 707551

IUPAC1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1ccc2snnc2c1)N1CCSCC1
InChIInChI=1S/C11H11N3OS2/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
InChIKeyXMUPVDWYEWQQAI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds1

About 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone

1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone (PubChem CID 707551) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone
PubChem CID707551
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1ccc2snnc2c1)N1CCSCC1
InChIInChI=1S/C11H11N3OS2/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
InChIKeyXMUPVDWYEWQQAI-UHFFFAOYSA-N
XLogP1.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone (CID 707551) is 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone is O=C(c1ccc2snnc2c1)N1CCSCC1.
What is the InChIKey of 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone?
The InChIKey is XMUPVDWYEWQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2.
What are the key properties of 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone?
1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-5-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 707551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).