6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

C5H3N3S2 — CID 3885730

IUPAC6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESS=c1[nH]cnc2scnc12
InChIInChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9)
InChIKeyLKMUGGHJDVQIQC-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.75
Rot. Bonds

About 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 3885730) has the molecular formula C5H3N3S2 and a molecular weight of 169.23 g/mol. Its IUPAC name is 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID3885730
Molecular FormulaC5H3N3S2
Molecular Weight169.23 g/mol
Exact Mass168.98
IUPAC Name6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESS=c1[nH]cnc2scnc12
InChIInChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9)
InChIKeyLKMUGGHJDVQIQC-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 3885730) is 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is S=c1[nH]cnc2scnc12.
What is the InChIKey of 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is LKMUGGHJDVQIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9).
What are the key properties of 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione has a molecular weight of 169.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 3885730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).