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

C18H18N6S — CID 58285756

IUPAC5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C18H18N6S/c1-23(2)15-5-3-4-14(10-15)16-12-21-18-24(16)22-17(25-18)20-11-13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNNEJTZAIZSXVCB-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.53
Rot. Bonds5

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

5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285756) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285756
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C18H18N6S/c1-23(2)15-5-3-4-14(10-15)16-12-21-18-24(16)22-17(25-18)20-11-13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNNEJTZAIZSXVCB-UHFFFAOYSA-N
XLogP3.53
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.53
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-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285756) is 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1cccc(-c2cnc3sc(NCc4ccncc4)nn23)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NNEJTZAIZSXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-23(2)15-5-3-4-14(10-15)16-12-21-18-24(16)22-17(25-18)20-11-13-6-8-19-9-7-13/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 350.45 g/mol, XLogP of 3.53, 5 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-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).