4-(1,3,5-triazin-2-yl)thiadiazole

C5H3N5S — CID 57269439

IUPAC4-(1,3,5-triazin-2-yl)thiadiazole
SMILESc1ncnc(-c2csnn2)n1
InChIInChI=1S/C5H3N5S/c1-4(9-10-11-1)5-7-2-6-3-8-5/h1-3H
InChIKeyFVYDJUZYNDEPSO-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.39
Rot. Bonds1

About 4-(1,3,5-triazin-2-yl)thiadiazole

4-(1,3,5-triazin-2-yl)thiadiazole (PubChem CID 57269439) has the molecular formula C5H3N5S and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(1,3,5-triazin-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,3,5-triazin-2-yl)thiadiazole
PubChem CID57269439
Molecular FormulaC5H3N5S
Molecular Weight165.18 g/mol
Exact Mass165.01
IUPAC Name4-(1,3,5-triazin-2-yl)thiadiazole
SMILESc1ncnc(-c2csnn2)n1
InChIInChI=1S/C5H3N5S/c1-4(9-10-11-1)5-7-2-6-3-8-5/h1-3H
InChIKeyFVYDJUZYNDEPSO-UHFFFAOYSA-N
XLogP0.39
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,3,5-triazin-2-yl)thiadiazole 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 4-(1,3,5-triazin-2-yl)thiadiazole?
The IUPAC name of 4-(1,3,5-triazin-2-yl)thiadiazole (CID 57269439) is 4-(1,3,5-triazin-2-yl)thiadiazole.
What is the SMILES notation for 4-(1,3,5-triazin-2-yl)thiadiazole?
The canonical SMILES for 4-(1,3,5-triazin-2-yl)thiadiazole is c1ncnc(-c2csnn2)n1.
What is the InChIKey of 4-(1,3,5-triazin-2-yl)thiadiazole?
The InChIKey is FVYDJUZYNDEPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5S/c1-4(9-10-11-1)5-7-2-6-3-8-5/h1-3H.
What are the key properties of 4-(1,3,5-triazin-2-yl)thiadiazole?
4-(1,3,5-triazin-2-yl)thiadiazole has a molecular weight of 165.18 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-triazin-2-yl)thiadiazole is sourced from PubChem (CID 57269439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).