3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine

C15H16N4OS — CID 174364537

IUPAC3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
SMILESCCCOc1nsnc1-c1cccnc1.c1ccncc1
InChIInChI=1S/C10H11N3OS.C5H5N/c1-2-6-14-10-9(12-15-13-10)8-4-3-5-11-7-8;1-2-4-6-5-3-1/h3-5,7H,2,6H2,1H3;1-5H
InChIKeyHWMGHXFXYSJCJS-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.47
Rot. Bonds4

About 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine

3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine (PubChem CID 174364537) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine.

Molecular Properties

Compound Name3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
PubChem CID174364537
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
SMILESCCCOc1nsnc1-c1cccnc1.c1ccncc1
InChIInChI=1S/C10H11N3OS.C5H5N/c1-2-6-14-10-9(12-15-13-10)8-4-3-5-11-7-8;1-2-4-6-5-3-1/h3-5,7H,2,6H2,1H3;1-5H
InChIKeyHWMGHXFXYSJCJS-UHFFFAOYSA-N
XLogP3.47
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-3-yl-4-[2-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 10928093
3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 158191583
3-[(E)-hex-4-enoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075354
N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
CID 139979245
3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19612613
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075239
3-but-1-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
CID 139697051
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 160628601
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992
3-pyridin-3-yl-4-(6,6,6-trifluorohexan-3-yloxy)-1,2,5-thiadiazole
CID 57128366
3-hexoxy-4-(2-methyl-3-pyridinyl)-1,2,5-thiadiazole
CID 175403000
3-(1-methylpyridin-1-ium-3-yl)-4-[2-[2-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 11017982

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The IUPAC name of 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine (CID 174364537) is 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine.
What is the SMILES notation for 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The canonical SMILES for 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine is CCCOc1nsnc1-c1cccnc1.c1ccncc1.
What is the InChIKey of 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The InChIKey is HWMGHXFXYSJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS.C5H5N/c1-2-6-14-10-9(12-15-13-10)8-4-3-5-11-7-8;1-2-4-6-5-3-1/h3-5,7H,2,6H2,1H3;1-5H.
What are the key properties of 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine has a molecular weight of 300.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine is sourced from PubChem (CID 174364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).