3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole

C15H17N3OS — CID 18920269

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2OCc2ccccc2)C1
InChIInChI=1S/C15H17N3OS/c1-18-9-5-8-13(10-18)14-15(17-20-16-14)19-11-12-6-3-2-4-7-12/h2-4,6-8H,5,9-11H2,1H3
InChIKeyGWLKQAQRGYTQCJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.84
Rot. Bonds4

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole (PubChem CID 18920269) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole
PubChem CID18920269
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2OCc2ccccc2)C1
InChIInChI=1S/C15H17N3OS/c1-18-9-5-8-13(10-18)14-15(17-20-16-14)19-11-12-6-3-2-4-7-12/h2-4,6-8H,5,9-11H2,1H3
InChIKeyGWLKQAQRGYTQCJ-UHFFFAOYSA-N
XLogP2.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole (CID 18920269) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole is CN1CCC=C(c2nsnc2OCc2ccccc2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole?
The InChIKey is GWLKQAQRGYTQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-18-9-5-8-13(10-18)14-15(17-20-16-14)19-11-12-6-3-2-4-7-12/h2-4,6-8H,5,9-11H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole has a molecular weight of 287.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenylmethoxy-1,2,5-thiadiazole is sourced from PubChem (CID 18920269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).