2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione

C5H6F2N4S — CID 131057001

IUPAC2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione
SMILESCC(F)(F)c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C5H6F2N4S/c1-5(6,7)2-9-3(8)11-4(12)10-2/h1H3,(H3,8,9,10,11,12)
InChIKeyRPKCTZVZTUTNGI-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.23
Rot. Bonds1

About 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione (PubChem CID 131057001) has the molecular formula C5H6F2N4S and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione
PubChem CID131057001
Molecular FormulaC5H6F2N4S
Molecular Weight192.19 g/mol
Exact Mass192.03
IUPAC Name2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione
SMILESCC(F)(F)c1nc(=S)nc(N)[nH]1
InChIInChI=1S/C5H6F2N4S/c1-5(6,7)2-9-3(8)11-4(12)10-2/h1H3,(H3,8,9,10,11,12)
InChIKeyRPKCTZVZTUTNGI-UHFFFAOYSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-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 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione (CID 131057001) is 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione is CC(F)(F)c1nc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is RPKCTZVZTUTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4S/c1-5(6,7)2-9-3(8)11-4(12)10-2/h1H3,(H3,8,9,10,11,12).
What are the key properties of 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 192.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,1-difluoroethyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 131057001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).