3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione

C13H11N3O2S — CID 15094754

IUPAC3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione
SMILESCn1ncc2c(sc(=O)n2Cc2ccccc2)c1=O
InChIInChI=1S/C13H11N3O2S/c1-15-12(17)11-10(7-14-15)16(13(18)19-11)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyIYDWUKHJIZLLHO-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.21
Rot. Bonds2

About 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione

3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione (PubChem CID 15094754) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione.

Molecular Properties

Compound Name3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione
PubChem CID15094754
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione
SMILESCn1ncc2c(sc(=O)n2Cc2ccccc2)c1=O
InChIInChI=1S/C13H11N3O2S/c1-15-12(17)11-10(7-14-15)16(13(18)19-11)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyIYDWUKHJIZLLHO-UHFFFAOYSA-N
XLogP1.21
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-6-methyl-1,3-benzothiazol-2-one
CID 54248181
4-benzylsulfanyl-5-chloro-2-methylpyridazin-3-one
CID 10492018
3-benzyl-6-(3-benzyl-2-oxo-1,3-benzothiazole-6-carbonyl)-1,3-benzothiazol-2-one
CID 11027598
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
CID 11821306
3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 143665036
5-benzylsulfanyl-4-bromo-2-methylpyridazin-3-one
CID 13474273
1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-benzyl-N-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100743809
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione?
The IUPAC name of 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione (CID 15094754) is 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione.
What is the SMILES notation for 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione?
The canonical SMILES for 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione is Cn1ncc2c(sc(=O)n2Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione?
The InChIKey is IYDWUKHJIZLLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-15-12(17)11-10(7-14-15)16(13(18)19-11)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione?
3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione has a molecular weight of 273.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-[1,3]thiazolo[4,5-d]pyridazine-2,7-dione is sourced from PubChem (CID 15094754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).