1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione

C5H11N5S — CID 18317168

IUPAC1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCC(N(C)C)n1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-4(9(2)3)10-5(11)6-7-8-10/h4H,1-3H3,(H,6,8,11)
InChIKeyRWRRHLLCHRNBFY-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.42
Rot. Bonds2

About 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione

1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 18317168) has the molecular formula C5H11N5S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID18317168
Molecular FormulaC5H11N5S
Molecular Weight173.24 g/mol
Exact Mass173.07
IUPAC Name1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCC(N(C)C)n1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-4(9(2)3)10-5(11)6-7-8-10/h4H,1-3H3,(H,6,8,11)
InChIKeyRWRRHLLCHRNBFY-UHFFFAOYSA-N
XLogP0.42
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-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 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione (CID 18317168) is 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione is CC(N(C)C)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is RWRRHLLCHRNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-4(9(2)3)10-5(11)6-7-8-10/h4H,1-3H3,(H,6,8,11).
What are the key properties of 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione?
1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 173.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 18317168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).