thiadiazolo[5,4-d]pyrimidine 3,3-dioxide

C4H2N4O2S — CID 69334490

IUPACthiadiazolo[5,4-d]pyrimidine 3,3-dioxide
SMILESO=S1(=O)N=Nc2cncnc21
InChIInChI=1S/C4H2N4O2S/c9-11(10)4-3(7-8-11)1-5-2-6-4/h1-2H
InChIKeyAQDXDFUKAGEUNL-UHFFFAOYSA-N
MW170.15 g/mol
LogP0.26
Rot. Bonds

About thiadiazolo[5,4-d]pyrimidine 3,3-dioxide

thiadiazolo[5,4-d]pyrimidine 3,3-dioxide (PubChem CID 69334490) has the molecular formula C4H2N4O2S and a molecular weight of 170.15 g/mol. Its IUPAC name is thiadiazolo[5,4-d]pyrimidine 3,3-dioxide.

Molecular Properties

Compound Namethiadiazolo[5,4-d]pyrimidine 3,3-dioxide
PubChem CID69334490
Molecular FormulaC4H2N4O2S
Molecular Weight170.15 g/mol
Exact Mass169.99
IUPAC Namethiadiazolo[5,4-d]pyrimidine 3,3-dioxide
SMILESO=S1(=O)N=Nc2cncnc21
InChIInChI=1S/C4H2N4O2S/c9-11(10)4-3(7-8-11)1-5-2-6-4/h1-2H
InChIKeyAQDXDFUKAGEUNL-UHFFFAOYSA-N
XLogP0.26
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethylpyrimidine;hydrochloride
CID 126810746
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
1H-pyrimido[5,4-c]oxazepin-3-one
CID 69034337
2-(5-chloropyrimidin-4-yl)oxyacetic acid
CID 105370323
8-methyl-8λ4,9-dithia-2,4,7-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 173233981
acetic acid;thieno[3,2-d]pyrimidine
CID 66697178
8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
CID 21300105
8-methylidene-7H-pyrimido[5,4-d]pyrimidine
CID 156641513
2,8,10-triazabicyclo[5.4.0]undeca-1(11),2,3,5,7,9-hexaene
CID 134572837
pyrimido[4,5-b][1,4]oxazepine
CID 45080248

Frequently Asked Questions

What is the IUPAC name of thiadiazolo[5,4-d]pyrimidine 3,3-dioxide?
The IUPAC name of thiadiazolo[5,4-d]pyrimidine 3,3-dioxide (CID 69334490) is thiadiazolo[5,4-d]pyrimidine 3,3-dioxide.
What is the SMILES notation for thiadiazolo[5,4-d]pyrimidine 3,3-dioxide?
The canonical SMILES for thiadiazolo[5,4-d]pyrimidine 3,3-dioxide is O=S1(=O)N=Nc2cncnc21.
What is the InChIKey of thiadiazolo[5,4-d]pyrimidine 3,3-dioxide?
The InChIKey is AQDXDFUKAGEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O2S/c9-11(10)4-3(7-8-11)1-5-2-6-4/h1-2H.
What are the key properties of thiadiazolo[5,4-d]pyrimidine 3,3-dioxide?
thiadiazolo[5,4-d]pyrimidine 3,3-dioxide has a molecular weight of 170.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazolo[5,4-d]pyrimidine 3,3-dioxide is sourced from PubChem (CID 69334490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).