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

C10H15N3OS — CID 18920309

IUPAC3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C10H15N3OS/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyFVFYCQYZPZLAQO-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.66
Rot. Bonds3

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

3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 18920309) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID18920309
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C10H15N3OS/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyFVFYCQYZPZLAQO-UHFFFAOYSA-N
XLogP1.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 18920309) is 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is CCOc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is FVFYCQYZPZLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 225.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 18920309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).