5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione

C8H10N4S2 — CID 23007162

IUPAC5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCCn1nc(-c2n[nH]c(=S)s2)cc1C
InChIInChI=1S/C8H10N4S2/c1-3-12-5(2)4-6(11-12)7-9-10-8(13)14-7/h4H,3H2,1-2H3,(H,10,13)
InChIKeyGKTKGQUQJVTRMT-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.39
Rot. Bonds2

About 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione

5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 23007162) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID23007162
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
SMILESCCn1nc(-c2n[nH]c(=S)s2)cc1C
InChIInChI=1S/C8H10N4S2/c1-3-12-5(2)4-6(11-12)7-9-10-8(13)14-7/h4H,3H2,1-2H3,(H,10,13)
InChIKeyGKTKGQUQJVTRMT-UHFFFAOYSA-N
XLogP2.39
TPSA46.50 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-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

5-(1,3-diethylpyrazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007186
5-(5-butyl-1H-pyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007194
5-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
CID 15883081
1-ethyl-3,5-dimethylpyrazole
CID 565993
5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007251
5-[2-(2-methylpropyl)pyrazol-3-yl]-3H-1,3,4-thiadiazole-2-thione
CID 23007136
4-amino-3-(5-methyl-1-propylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006457
5-[2-(methylamino)phenyl]-3H-1,3,4-thiadiazole-2-thione
CID 66861469
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 145351223
silver 5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 18620396

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione (CID 23007162) is 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione is CCn1nc(-c2n[nH]c(=S)s2)cc1C.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is GKTKGQUQJVTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-12-5(2)4-6(11-12)7-9-10-8(13)14-7/h4H,3H2,1-2H3,(H,10,13).
What are the key properties of 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione?
5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 226.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazol-3-yl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 23007162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).