4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

C8H10N4S2 — CID 83018416

IUPAC4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILESCN(C)n1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C8H10N4S2/c1-11(2)12-7(9-10-8(12)13)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13)
InChIKeyRUINBGXCXJNCCQ-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.87
Rot. Bonds2

About 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (PubChem CID 83018416) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
PubChem CID83018416
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILESCN(C)n1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C8H10N4S2/c1-11(2)12-7(9-10-8(12)13)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13)
InChIKeyRUINBGXCXJNCCQ-UHFFFAOYSA-N
XLogP1.87
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(dimethylamino)-3-methylbutan-2-yl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 61480093
N,N-dimethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 60699471
4-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 29073839
4-(2,3-dimethylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 28830678
4-(4-hydroxyphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 142163527
4-[2-(1-methylpyrazol-3-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 106105623
(2S)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoate
CID 7129288
4-(4-ethoxyphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 16637046
4-(2,5-dichloro-4-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 104727484
4-morpholin-4-yl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 83017716
4-(2-methyl-2-methylsulfonylpropyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 79561512
4-(1-methylsulfonylpropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 64644003

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione (CID 83018416) is 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is CN(C)n1c(-c2cccs2)n[nH]c1=S.
What is the InChIKey of 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is RUINBGXCXJNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-11(2)12-7(9-10-8(12)13)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13).
What are the key properties of 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione?
4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 226.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 83018416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).