3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine

C16H24N6OS — CID 13313699

IUPAC3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
SMILESNc1nsnc1NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C16H24N6OS/c17-15-16(21-24-20-15)19-6-4-10-23-14-11-13(5-7-18-14)12-22-8-2-1-3-9-22/h5,7,11H,1-4,6,8-10,12H2,(H2,17,20)(H,19,21)
InChIKeyFTQNYNLEKXCHPJ-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.38
Rot. Bonds8

About 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine

3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine (PubChem CID 13313699) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
PubChem CID13313699
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
SMILESNc1nsnc1NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C16H24N6OS/c17-15-16(21-24-20-15)19-6-4-10-23-14-11-13(5-7-18-14)12-22-8-2-1-3-9-22/h5,7,11H,1-4,6,8-10,12H2,(H2,17,20)(H,19,21)
InChIKeyFTQNYNLEKXCHPJ-UHFFFAOYSA-N
XLogP2.38
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-N-[3-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxypropyl]-1,2,5-thiadiazole-3,4-diamine
CID 57095051
3-N-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]sulfanylpropyl]-1,2,5-thiadiazole-3,4-diamine
CID 154410810
N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
CID 139915610
4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]butan-1-ol
CID 15228214
4-(piperidin-1-ylmethyl)-2-propoxypyridine
CID 54041616
3-N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-4-N-methyl-1,2,5-thiadiazole-3,4-diamine
CID 56974428
1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea
CID 19962926
3-N-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethyl]-1,2,5-thiadiazole-3,4-diamine
CID 13313697
(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
CID 121230636
3-N-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]quinoxaline-2,3-diamine
CID 57399370
N-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
CID 57308357
N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine?
The IUPAC name of 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine (CID 13313699) is 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine.
What is the SMILES notation for 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine?
The canonical SMILES for 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine is Nc1nsnc1NCCCOc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine?
The InChIKey is FTQNYNLEKXCHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c17-15-16(21-24-20-15)19-6-4-10-23-14-11-13(5-7-18-14)12-22-8-2-1-3-9-22/h5,7,11H,1-4,6,8-10,12H2,(H2,17,20)(H,19,21).
What are the key properties of 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine?
3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine has a molecular weight of 348.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine is sourced from PubChem (CID 13313699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).