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

C15H12N6S — CID 58285457

IUPAC5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C15H12N6S/c1-2-12(9-17-5-1)13-10-19-15-21(13)20-14(22-15)18-8-11-3-6-16-7-4-11/h1-7,9-10H,8H2,(H,18,20)
InChIKeyGHJLWZUCLSKNAE-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.86
Rot. Bonds4

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

5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285457) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285457
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C15H12N6S/c1-2-12(9-17-5-1)13-10-19-15-21(13)20-14(22-15)18-8-11-3-6-16-7-4-11/h1-7,9-10H,8H2,(H,18,20)
InChIKeyGHJLWZUCLSKNAE-UHFFFAOYSA-N
XLogP2.86
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285457) is 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1cncc(-c2cnc3sc(NCc4ccncc4)nn23)c1.
What is the InChIKey of 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is GHJLWZUCLSKNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-12(9-17-5-1)13-10-19-15-21(13)20-14(22-15)18-8-11-3-6-16-7-4-11/h1-7,9-10H,8H2,(H,18,20).
What are the key properties of 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 308.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).