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

C11H17N3OS — CID 18920221

IUPAC3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCC(C)N(C)C1
InChIInChI=1S/C11H17N3OS/c1-4-15-11-10(12-16-13-11)9-6-5-8(2)14(3)7-9/h6,8H,4-5,7H2,1-3H3
InChIKeyQVWFMJQZDNOHFC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.04
Rot. Bonds3

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

3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole (PubChem CID 18920221) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole
PubChem CID18920221
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCC(C)N(C)C1
InChIInChI=1S/C11H17N3OS/c1-4-15-11-10(12-16-13-11)9-6-5-8(2)14(3)7-9/h6,8H,4-5,7H2,1-3H3
InChIKeyQVWFMJQZDNOHFC-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole?
The IUPAC name of 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole (CID 18920221) is 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole is CCOc1nsnc1C1=CCC(C)N(C)C1.
What is the InChIKey of 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole?
The InChIKey is QVWFMJQZDNOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-15-11-10(12-16-13-11)9-6-5-8(2)14(3)7-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole?
3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole has a molecular weight of 239.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-ethoxy-1,2,5-thiadiazole is sourced from PubChem (CID 18920221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).