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

C19H19N5S — CID 58285583

IUPACN-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccccc4)nn23)c1
InChIInChI=1S/C19H19N5S/c1-23(2)16-10-6-9-15(11-16)17-13-21-19-24(17)22-18(25-19)20-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyIKELEJBGZYYKPN-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.14
Rot. Bonds5

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

N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285583) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285583
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccccc4)nn23)c1
InChIInChI=1S/C19H19N5S/c1-23(2)16-10-6-9-15(11-16)17-13-21-19-24(17)22-18(25-19)20-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyIKELEJBGZYYKPN-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-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285583) is N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1cccc(-c2cnc3sc(NCc4ccccc4)nn23)c1.
What is the InChIKey of N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IKELEJBGZYYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-23(2)16-10-6-9-15(11-16)17-13-21-19-24(17)22-18(25-19)20-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-5-[3-(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-5-[3-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).