4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide

C20H22N6O2S2 — CID 67220617

IUPAC4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
SMILESCN(C)c1ccccc1-c1cn2nc(NCCc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C20H22N6O2S2/c1-25(2)18-6-4-3-5-16(18)17-13-26-20(23-17)29-19(24-26)22-12-11-14-7-9-15(10-8-14)30(21,27)28/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,27,28)
InChIKeyUGVSCEYRMRVWJV-UHFFFAOYSA-N
MW442.57 g/mol
LogP2.83
Rot. Bonds7

About 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 67220617) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID67220617
Molecular FormulaC20H22N6O2S2
Molecular Weight442.57 g/mol
Exact Mass442.12
IUPAC Name4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
SMILESCN(C)c1ccccc1-c1cn2nc(NCCc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C20H22N6O2S2/c1-25(2)18-6-4-3-5-16(18)17-13-26-20(23-17)29-19(24-26)22-12-11-14-7-9-15(10-8-14)30(21,27)28/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,27,28)
InChIKeyUGVSCEYRMRVWJV-UHFFFAOYSA-N
XLogP2.83
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221229
4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
CID 67220848
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
5-[2-(dimethylamino)phenyl]-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285815
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221158
4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine
CID 162223328
4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
CID 133366022
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide (CID 67220617) is 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide is CN(C)c1ccccc1-c1cn2nc(NCCc3ccc(S(N)(=O)=O)cc3)sc2n1.
What is the InChIKey of 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is UGVSCEYRMRVWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-25(2)18-6-4-3-5-16(18)17-13-26-20(23-17)29-19(24-26)22-12-11-14-7-9-15(10-8-14)30(21,27)28/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,27,28).
What are the key properties of 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 442.57 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 67220617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).