2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione

C5H14N6S — CID 57227309

IUPAC2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione
SMILESCN(C)CCN1C(=S)NNN1N
InChIInChI=1S/C5H14N6S/c1-9(2)3-4-10-5(12)7-8-11(10)6/h8H,3-4,6H2,1-2H3,(H,7,12)
InChIKeyWYNPYGIURFKCBI-UHFFFAOYSA-N
MW190.28 g/mol
LogP-1.75
Rot. Bonds3

About 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione

2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione (PubChem CID 57227309) has the molecular formula C5H14N6S and a molecular weight of 190.28 g/mol. Its IUPAC name is 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione.

Molecular Properties

Compound Name2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione
PubChem CID57227309
Molecular FormulaC5H14N6S
Molecular Weight190.28 g/mol
Exact Mass190.10
IUPAC Name2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione
SMILESCN(C)CCN1C(=S)NNN1N
InChIInChI=1S/C5H14N6S/c1-9(2)3-4-10-5(12)7-8-11(10)6/h8H,3-4,6H2,1-2H3,(H,7,12)
InChIKeyWYNPYGIURFKCBI-UHFFFAOYSA-N
XLogP-1.75
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-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

Related Compounds

4-Amino-5-methyl-4h-1h-1,2,4-triazole-3-thiol
CID 129729149
Bis(3 thiosemicarbazido)imidazolidin
CID 129814117
[[5-(2-Carbamothioylhydrazinyl)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-yl]amino]thiourea
CID 139229024
1,4,5-Trimethyl-1,2,4-triazolidine-3-thione
CID 20615651
2-Amino-1-propan-2-yltetrazolidine-5-thione
CID 88744227
1,3-Diamino-1-[2-(diethylamino)ethyl]thiourea
CID 89325213
1-(2-Aminoethyl)tetrazolidine-5-thione
CID 118463846
2-(Diethylamino)-1-ethyltetrazolidine-5-thione
CID 139632800
1-[2-(dimethylamino)ethyl]-2H-tetrazol-4-ium-5-thione
CID 151304553
1,3-Diamino-1-[2-(dimethylamino)ethyl]thiourea
CID 155112625
5-Amino-4-ethyl-1,2,4-triazolidine-3-thione
CID 163488006
5-Amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
CID 21134847

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione?
The IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione (CID 57227309) is 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione.
What is the SMILES notation for 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione?
The canonical SMILES for 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione is CN(C)CCN1C(=S)NNN1N.
What is the InChIKey of 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione?
The InChIKey is WYNPYGIURFKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6S/c1-9(2)3-4-10-5(12)7-8-11(10)6/h8H,3-4,6H2,1-2H3,(H,7,12).
What are the key properties of 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione?
2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione has a molecular weight of 190.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(dimethylamino)ethyl]tetrazolidine-5-thione is sourced from PubChem (CID 57227309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).