5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C22H26N6O2S — CID 58285816

IUPAC5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)CCCOc1ccc(-c2cnc3sc(NCCOc4ccccc4)nn23)cn1
InChIInChI=1S/C22H26N6O2S/c1-27(2)12-6-13-30-20-10-9-17(15-24-20)19-16-25-22-28(19)26-21(31-22)23-11-14-29-18-7-4-3-5-8-18/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,23,26)
InChIKeyIJOXWFZKFRPVIH-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.67
Rot. Bonds11

About 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285816) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285816
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)CCCOc1ccc(-c2cnc3sc(NCCOc4ccccc4)nn23)cn1
InChIInChI=1S/C22H26N6O2S/c1-27(2)12-6-13-30-20-10-9-17(15-24-20)19-16-25-22-28(19)26-21(31-22)23-11-14-29-18-7-4-3-5-8-18/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,23,26)
InChIKeyIJOXWFZKFRPVIH-UHFFFAOYSA-N
XLogP3.67
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285816) is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)CCCOc1ccc(-c2cnc3sc(NCCOc4ccccc4)nn23)cn1.
What is the InChIKey of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IJOXWFZKFRPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-27(2)12-6-13-30-20-10-9-17(15-24-20)19-16-25-22-28(19)26-21(31-22)23-11-14-29-18-7-4-3-5-8-18/h3-5,7-10,15-16H,6,11-14H2,1-2H3,(H,23,26).
What are the key properties of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 438.56 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-(2-phenoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).