3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol

C11H12N4OS2 — CID 58285781

IUPAC3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
SMILESOCCCNc1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C11H12N4OS2/c16-4-1-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7,16H,1,3-4H2,(H,12,14)
InChIKeyQWLBEOREVBDWLH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.31
Rot. Bonds5

About 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol

3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 58285781) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
PubChem CID58285781
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
SMILESOCCCNc1nn2c(-c3ccsc3)cnc2s1
InChIInChI=1S/C11H12N4OS2/c16-4-1-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7,16H,1,3-4H2,(H,12,14)
InChIKeyQWLBEOREVBDWLH-UHFFFAOYSA-N
XLogP2.31
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol (CID 58285781) is 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol is OCCCNc1nn2c(-c3ccsc3)cnc2s1.
What is the InChIKey of 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is QWLBEOREVBDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c16-4-1-3-12-10-14-15-9(6-13-11(15)18-10)8-2-5-17-7-8/h2,5-7,16H,1,3-4H2,(H,12,14).
What are the key properties of 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 58285781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).