N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H19N5S — CID 67221229

IUPACN-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccccc1-c1cn2nc(NCc3ccccc3)sc2n1
InChIInChI=1S/C19H19N5S/c1-23(2)17-11-7-6-10-15(17)16-13-24-19(21-16)25-18(22-24)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyKMOAIOARHCBQRS-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.14
Rot. Bonds5

About N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221229) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221229
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccccc1-c1cn2nc(NCc3ccccc3)sc2n1
InChIInChI=1S/C19H19N5S/c1-23(2)17-11-7-6-10-15(17)16-13-24-19(21-16)25-18(22-24)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyKMOAIOARHCBQRS-UHFFFAOYSA-N
XLogP4.14
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221229) is N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1ccccc1-c1cn2nc(NCc3ccccc3)sc2n1.
What is the InChIKey of N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is KMOAIOARHCBQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-23(2)17-11-7-6-10-15(17)16-13-24-19(21-16)25-18(22-24)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).