3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione

C7H8N4S — CID 14252748

IUPAC3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
SMILESCn1ccc(-n2cc[nH]c2=S)n1
InChIInChI=1S/C7H8N4S/c1-10-4-2-6(9-10)11-5-3-8-7(11)12/h2-5H,1H3,(H,8,12)
InChIKeyHAFFZINXWUDXCB-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.27
Rot. Bonds1

About 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione

3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione (PubChem CID 14252748) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
PubChem CID14252748
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
SMILESCn1ccc(-n2cc[nH]c2=S)n1
InChIInChI=1S/C7H8N4S/c1-10-4-2-6(9-10)11-5-3-8-7(11)12/h2-5H,1H3,(H,8,12)
InChIKeyHAFFZINXWUDXCB-UHFFFAOYSA-N
XLogP1.27
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-methylpyrazol-3-yl)-1H-imidazole-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione (CID 14252748) is 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione is Cn1ccc(-n2cc[nH]c2=S)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The InChIKey is HAFFZINXWUDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-10-4-2-6(9-10)11-5-3-8-7(11)12/h2-5H,1H3,(H,8,12).
What are the key properties of 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione has a molecular weight of 180.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 14252748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).