3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole

C13H17N5O2S — CID 22036377

IUPAC3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole
SMILESc1cncc(OCCOc2nsnc2N2CCNCC2)c1
InChIInChI=1S/C13H17N5O2S/c1-2-11(10-15-3-1)19-8-9-20-13-12(16-21-17-13)18-6-4-14-5-7-18/h1-3,10,14H,4-9H2
InChIKeyQHKDZFPKOBJYHP-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.80
Rot. Bonds6

About 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole

3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole (PubChem CID 22036377) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole
PubChem CID22036377
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole
SMILESc1cncc(OCCOc2nsnc2N2CCNCC2)c1
InChIInChI=1S/C13H17N5O2S/c1-2-11(10-15-3-1)19-8-9-20-13-12(16-21-17-13)18-6-4-14-5-7-18/h1-3,10,14H,4-9H2
InChIKeyQHKDZFPKOBJYHP-UHFFFAOYSA-N
XLogP0.80
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036286
2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
CID 22036428
N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146
4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949481
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036264
5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
CID 22036271
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
CID 22036291
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036488

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole (CID 22036377) is 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole is c1cncc(OCCOc2nsnc2N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole?
The InChIKey is QHKDZFPKOBJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-2-11(10-15-3-1)19-8-9-20-13-12(16-21-17-13)18-6-4-14-5-7-18/h1-3,10,14H,4-9H2.
What are the key properties of 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole?
3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole has a molecular weight of 307.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-4-(2-pyridin-3-yloxyethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 22036377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).