3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline

C14H10N4S2 — CID 122187544

IUPAC3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
SMILESNc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1
InChIInChI=1S/C14H10N4S2/c15-10-4-1-3-9(7-10)11-8-18-14(16-11)20-13(17-18)12-5-2-6-19-12/h1-8H,15H2
InChIKeyKFZNYIGZBSRZDD-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.77
Rot. Bonds2

About 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline

3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline (PubChem CID 122187544) has the molecular formula C14H10N4S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline.

Molecular Properties

Compound Name3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
PubChem CID122187544
Molecular FormulaC14H10N4S2
Molecular Weight298.40 g/mol
Exact Mass298.03
IUPAC Name3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
SMILESNc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1
InChIInChI=1S/C14H10N4S2/c15-10-4-1-3-9(7-10)11-8-18-14(16-11)20-13(17-18)12-5-2-6-19-12/h1-8H,15H2
InChIKeyKFZNYIGZBSRZDD-UHFFFAOYSA-N
XLogP3.77
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline 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-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The IUPAC name of 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline (CID 122187544) is 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline.
What is the SMILES notation for 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The canonical SMILES for 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline is Nc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1.
What is the InChIKey of 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The InChIKey is KFZNYIGZBSRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S2/c15-10-4-1-3-9(7-10)11-8-18-14(16-11)20-13(17-18)12-5-2-6-19-12/h1-8H,15H2.
What are the key properties of 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline has a molecular weight of 298.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline is sourced from PubChem (CID 122187544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).