3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

C14H15N5O2S — CID 58285613

IUPAC3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3sc(NCCCO)nn23)c1
InChIInChI=1S/C14H15N5O2S/c15-12(21)10-4-1-3-9(7-10)11-8-17-14-19(11)18-13(22-14)16-5-2-6-20/h1,3-4,7-8,20H,2,5-6H2,(H2,15,21)(H,16,18)
InChIKeyIVHURIATDRDLPG-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.35
Rot. Bonds6

About 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (PubChem CID 58285613) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
PubChem CID58285613
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3sc(NCCCO)nn23)c1
InChIInChI=1S/C14H15N5O2S/c15-12(21)10-4-1-3-9(7-10)11-8-17-14-19(11)18-13(22-14)16-5-2-6-20/h1,3-4,7-8,20H,2,5-6H2,(H2,15,21)(H,16,18)
InChIKeyIVHURIATDRDLPG-UHFFFAOYSA-N
XLogP1.35
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide 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-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The IUPAC name of 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (CID 58285613) is 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is NC(=O)c1cccc(-c2cnc3sc(NCCCO)nn23)c1.
What is the InChIKey of 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The InChIKey is IVHURIATDRDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c15-12(21)10-4-1-3-9(7-10)11-8-17-14-19(11)18-13(22-14)16-5-2-6-20/h1,3-4,7-8,20H,2,5-6H2,(H2,15,21)(H,16,18).
What are the key properties of 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide has a molecular weight of 317.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 58285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).