7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine

C7H8N4OS — CID 4154842

IUPAC7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine
SMILESCCOc1nc(C)nc2snnc12
InChIInChI=1S/C7H8N4OS/c1-3-12-6-5-7(13-11-10-5)9-4(2)8-6/h3H2,1-2H3
InChIKeyWUZLBDVMVMNVKS-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.19
Rot. Bonds2

About 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine

7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine (PubChem CID 4154842) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine
PubChem CID4154842
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine
SMILESCCOc1nc(C)nc2snnc12
InChIInChI=1S/C7H8N4OS/c1-3-12-6-5-7(13-11-10-5)9-4(2)8-6/h3H2,1-2H3
InChIKeyWUZLBDVMVMNVKS-UHFFFAOYSA-N
XLogP1.19
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine (CID 4154842) is 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine is CCOc1nc(C)nc2snnc12.
What is the InChIKey of 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine?
The InChIKey is WUZLBDVMVMNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-3-12-6-5-7(13-11-10-5)9-4(2)8-6/h3H2,1-2H3.
What are the key properties of 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine?
7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine has a molecular weight of 196.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 4154842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).