3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole

C14H19N3OS — CID 175403000

IUPAC3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole
SMILESCCCCCCOc1nsnc1-c1cccnc1C
InChIInChI=1S/C14H19N3OS/c1-3-4-5-6-10-18-14-13(16-19-17-14)12-8-7-9-15-11(12)2/h7-9H,3-6,10H2,1-2H3
InChIKeyAEPXCESDKIZDRN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.87
Rot. Bonds7

About 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole

3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole (PubChem CID 175403000) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole
PubChem CID175403000
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole
SMILESCCCCCCOc1nsnc1-c1cccnc1C
InChIInChI=1S/C14H19N3OS/c1-3-4-5-6-10-18-14-13(16-19-17-14)12-8-7-9-15-11(12)2/h7-9H,3-6,10H2,1-2H3
InChIKeyAEPXCESDKIZDRN-UHFFFAOYSA-N
XLogP3.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methylpyridin-1-ium-3-ol
CID 146509622
2,3-didecoxypyridine
CID 151922374
2-hexoxypyridine-3-sulfonamide
CID 112572977
3-chloro-4-pentoxy-1,2,5-thiadiazole
CID 10703512
2-pentoxypyridine-3-carbaldehyde
CID 11622489
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
3-(1-methylpyridin-1-ium-3-yl)-4-[8-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]octoxy]-1,2,5-thiadiazole diiodide
CID 10941680
3-hexoxy-4-[1-methyl-1-(pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-1-ium-5-yl]-1,2,5-thiadiazole
CID 172567344
3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 174364537
2-hexoxypyridine-3-carbonitrile
CID 29001326
3-heptyl-2-methylpyridine
CID 134369519
2-hexoxypyridine-3-carboximidamide
CID 29002899

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole?
The IUPAC name of 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole (CID 175403000) is 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole is CCCCCCOc1nsnc1-c1cccnc1C.
What is the InChIKey of 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole?
The InChIKey is AEPXCESDKIZDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-4-5-6-10-18-14-13(16-19-17-14)12-8-7-9-15-11(12)2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole?
3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole has a molecular weight of 277.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole is sourced from PubChem (CID 175403000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).