N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

C20H20N6OS — CID 58285486

IUPACN,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C20H20N6OS/c1-25(2)18(27)16-5-3-4-15(12-16)17-13-23-20-26(17)24-19(28-20)22-11-8-14-6-9-21-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,24)
InChIKeyAEBGAERMHRGNIY-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.21
Rot. Bonds6

About N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (PubChem CID 58285486) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
PubChem CID58285486
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C20H20N6OS/c1-25(2)18(27)16-5-3-4-15(12-16)17-13-23-20-26(17)24-19(28-20)22-11-8-14-6-9-21-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,24)
InChIKeyAEBGAERMHRGNIY-UHFFFAOYSA-N
XLogP3.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (CID 58285486) is N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is CN(C)C(=O)c1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The InChIKey is AEBGAERMHRGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-25(2)18(27)16-5-3-4-15(12-16)17-13-23-20-26(17)24-19(28-20)22-11-8-14-6-9-21-10-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,24).
What are the key properties of N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide has a molecular weight of 392.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-pyridin-4-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 58285486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).