5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H19N5O2S — CID 58285617

IUPAC5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cncc(-c2cnc3sc(NCC4CCOCC4)nn23)c1
InChIInChI=1S/C16H19N5O2S/c1-22-13-6-12(8-17-9-13)14-10-19-16-21(14)20-15(24-16)18-7-11-2-4-23-5-3-11/h6,8-11H,2-5,7H2,1H3,(H,18,20)
InChIKeyOWOABVSPCSGYJF-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.70
Rot. Bonds5

About 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285617) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285617
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cncc(-c2cnc3sc(NCC4CCOCC4)nn23)c1
InChIInChI=1S/C16H19N5O2S/c1-22-13-6-12(8-17-9-13)14-10-19-16-21(14)20-15(24-16)18-7-11-2-4-23-5-3-11/h6,8-11H,2-5,7H2,1H3,(H,18,20)
InChIKeyOWOABVSPCSGYJF-UHFFFAOYSA-N
XLogP2.70
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285617) is 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1cncc(-c2cnc3sc(NCC4CCOCC4)nn23)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OWOABVSPCSGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-22-13-6-12(8-17-9-13)14-10-19-16-21(14)20-15(24-16)18-7-11-2-4-23-5-3-11/h6,8-11H,2-5,7H2,1H3,(H,18,20).
What are the key properties of 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 345.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).