3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one

C6H6N4OS — CID 165475166

IUPAC3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one
SMILESNc1cc2c(nn1)SCC(=O)N2
InChIInChI=1S/C6H6N4OS/c7-4-1-3-6(10-9-4)12-2-5(11)8-3/h1H,2H2,(H2,7,9)(H,8,11)
InChIKeyUQECNTCPPMUAKS-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.10
Rot. Bonds

About 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one

3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one (PubChem CID 165475166) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one.

Molecular Properties

Compound Name3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one
PubChem CID165475166
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one
SMILESNc1cc2c(nn1)SCC(=O)N2
InChIInChI=1S/C6H6N4OS/c7-4-1-3-6(10-9-4)12-2-5(11)8-3/h1H,2H2,(H2,7,9)(H,8,11)
InChIKeyUQECNTCPPMUAKS-UHFFFAOYSA-N
XLogP0.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-iodo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 170247234
7-ethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 89066606
6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one
CID 82486044
7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one
CID 116994341
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
6-(1,1-difluoroethyl)-4H-1,4-benzothiazin-3-one
CID 116841577
6-(hydroxymethyl)-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 126613471
6-[amino(sulfanyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116939513
6-[amino(hydroxy)methyl]-4H-1,4-benzothiazin-3-one
CID 116939665
6-(5-amino-6-methylpyrimidin-4-yl)-4H-1,4-benzothiazin-3-one
CID 96668447
(3-oxo-4H-1,4-benzothiazin-7-yl)boronic acid
CID 91756091

Frequently Asked Questions

What is the IUPAC name of 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one?
The IUPAC name of 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one (CID 165475166) is 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one.
What is the SMILES notation for 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one?
The canonical SMILES for 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one is Nc1cc2c(nn1)SCC(=O)N2.
What is the InChIKey of 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one?
The InChIKey is UQECNTCPPMUAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c7-4-1-3-6(10-9-4)12-2-5(11)8-3/h1H,2H2,(H2,7,9)(H,8,11).
What are the key properties of 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one?
3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one has a molecular weight of 182.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5H-pyridazino[3,4-b][1,4]thiazin-6-one is sourced from PubChem (CID 165475166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).