5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione

C6H6N4OS — CID 91248085

IUPAC5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
SMILESS=C1N=CC(c2ncno2)CN1
InChIInChI=1S/C6H6N4OS/c12-6-7-1-4(2-8-6)5-9-3-10-11-5/h1,3-4H,2H2,(H,8,12)
InChIKeyYVNYVYLMOLUULU-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.11
Rot. Bonds1

About 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione

5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione (PubChem CID 91248085) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
PubChem CID91248085
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
SMILESS=C1N=CC(c2ncno2)CN1
InChIInChI=1S/C6H6N4OS/c12-6-7-1-4(2-8-6)5-9-3-10-11-5/h1,3-4H,2H2,(H,8,12)
InChIKeyYVNYVYLMOLUULU-UHFFFAOYSA-N
XLogP0.11
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione (CID 91248085) is 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione is S=C1N=CC(c2ncno2)CN1.
What is the InChIKey of 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione?
The InChIKey is YVNYVYLMOLUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c12-6-7-1-4(2-8-6)5-9-3-10-11-5/h1,3-4H,2H2,(H,8,12).
What are the key properties of 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione?
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione has a molecular weight of 182.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 91248085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).