3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine

C16H22N4OS — CID 174375885

IUPAC3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine
SMILESCCOc1nsnc1C1=CCCN(CC)C1.c1ccncc1
InChIInChI=1S/C11H17N3OS.C5H5N/c1-3-14-7-5-6-9(8-14)10-11(15-4-2)13-16-12-10;1-2-4-6-5-3-1/h6H,3-5,7-8H2,1-2H3;1-5H
InChIKeyOJUWLEHAFYERMF-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.13
Rot. Bonds4

About 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine

3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine (PubChem CID 174375885) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine.

Molecular Properties

Compound Name3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine
PubChem CID174375885
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine
SMILESCCOc1nsnc1C1=CCCN(CC)C1.c1ccncc1
InChIInChI=1S/C11H17N3OS.C5H5N/c1-3-14-7-5-6-9(8-14)10-11(15-4-2)13-16-12-10;1-2-4-6-5-3-1/h6H,3-5,7-8H2,1-2H3;1-5H
InChIKeyOJUWLEHAFYERMF-UHFFFAOYSA-N
XLogP3.13
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine?
The IUPAC name of 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine (CID 174375885) is 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine.
What is the SMILES notation for 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine?
The canonical SMILES for 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine is CCOc1nsnc1C1=CCCN(CC)C1.c1ccncc1.
What is the InChIKey of 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine?
The InChIKey is OJUWLEHAFYERMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.C5H5N/c1-3-14-7-5-6-9(8-14)10-11(15-4-2)13-16-12-10;1-2-4-6-5-3-1/h6H,3-5,7-8H2,1-2H3;1-5H.
What are the key properties of 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine?
3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine has a molecular weight of 318.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine is sourced from PubChem (CID 174375885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).