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

C11H17N3O2S — CID 18920345

IUPAC3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCOC(C)Oc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C11H17N3O2S/c1-8(15-3)16-11-10(12-17-13-11)9-5-4-6-14(2)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyGCKCOJLAHJPIGN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.63
Rot. Bonds4

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

3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 18920345) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID18920345
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCOC(C)Oc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C11H17N3O2S/c1-8(15-3)16-11-10(12-17-13-11)9-5-4-6-14(2)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyGCKCOJLAHJPIGN-UHFFFAOYSA-N
XLogP1.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 18920345) is 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is COC(C)Oc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is GCKCOJLAHJPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(15-3)16-11-10(12-17-13-11)9-5-4-6-14(2)7-9/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 255.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 18920345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).