6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione

C9H7N3O2S — CID 514168

IUPAC6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione
SMILESO=c1nc(Cc2cccnc2)sc(=O)[nH]1
InChIInChI=1S/C9H7N3O2S/c13-8-11-7(15-9(14)12-8)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H,12,13,14)
InChIKeyOREGPVDUZIESDA-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.18
Rot. Bonds2

About 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione

6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione (PubChem CID 514168) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione.

Molecular Properties

Compound Name6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione
PubChem CID514168
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione
SMILESO=c1nc(Cc2cccnc2)sc(=O)[nH]1
InChIInChI=1S/C9H7N3O2S/c13-8-11-7(15-9(14)12-8)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H,12,13,14)
InChIKeyOREGPVDUZIESDA-UHFFFAOYSA-N
XLogP0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione?
The IUPAC name of 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione (CID 514168) is 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione.
What is the SMILES notation for 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione?
The canonical SMILES for 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione is O=c1nc(Cc2cccnc2)sc(=O)[nH]1.
What is the InChIKey of 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione?
The InChIKey is OREGPVDUZIESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8-11-7(15-9(14)12-8)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H,12,13,14).
What are the key properties of 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione?
6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione has a molecular weight of 221.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione is sourced from PubChem (CID 514168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).