5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H20N6S — CID 58285443

IUPAC5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C19H20N6S/c1-24(2)16-5-3-4-15(12-16)17-13-22-19-25(17)23-18(26-19)21-11-8-14-6-9-20-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,23)
InChIKeyAFMYXMGVZORRAH-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.57
Rot. Bonds6

About 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285443) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285443
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C19H20N6S/c1-24(2)16-5-3-4-15(12-16)17-13-22-19-25(17)23-18(26-19)21-11-8-14-6-9-20-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,23)
InChIKeyAFMYXMGVZORRAH-UHFFFAOYSA-N
XLogP3.57
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285443) is 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AFMYXMGVZORRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-24(2)16-5-3-4-15(12-16)17-13-22-19-25(17)23-18(26-19)21-11-8-14-6-9-20-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,23).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 364.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).