6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione

C6H5F3N2S — CID 119002305

IUPAC6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESNc1[nH]c(=S)ccc1C(F)(F)F
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)3-1-2-4(12)11-5(3)10/h1-2H,(H3,10,11,12)
InChIKeyJJWMWKCEYCWGRJ-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.35
Rot. Bonds

About 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione

6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 119002305) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID119002305
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESNc1[nH]c(=S)ccc1C(F)(F)F
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)3-1-2-4(12)11-5(3)10/h1-2H,(H3,10,11,12)
InChIKeyJJWMWKCEYCWGRJ-UHFFFAOYSA-N
XLogP2.35
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-5-(trifluoromethyl)-1H-pyridine-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

Related Compounds

6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 119009074
6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 130868547
6-amino-5-methyl-1H-pyridine-2-thione;ethane
CID 142420612
6-amino-5-methyl-1H-pyridine-2-thione
CID 142420613
6-amino-5-ethyl-1H-pyridine-2-thione
CID 151844198

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione (CID 119002305) is 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione is Nc1[nH]c(=S)ccc1C(F)(F)F.
What is the InChIKey of 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is JJWMWKCEYCWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c7-6(8,9)3-1-2-4(12)11-5(3)10/h1-2H,(H3,10,11,12).
What are the key properties of 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione?
6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 194.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 119002305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).