3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C11H20N4S — CID 43664001

IUPAC3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCCCC1
InChIInChI=1S/C11H20N4S/c1-2-6-15(7-3-1)8-4-5-12-9-11-10-16-14-13-11/h10,12H,1-9H2
InChIKeyQIKUBJFBJOBVBU-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.50
Rot. Bonds6

About 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664001) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664001
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCN1CCCCC1
InChIInChI=1S/C11H20N4S/c1-2-6-15(7-3-1)8-4-5-12-9-11-10-16-14-13-11/h10,12H,1-9H2
InChIKeyQIKUBJFBJOBVBU-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
CID 130668391
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
4-(1,4-Diazabicyclo[3.2.2]nonan-2-yl)thiadiazole
CID 67481134
4-Piperazin-2-ylthiadiazole
CID 91600271
4-(Piperidin-1-ylmethyl)thiadiazole
CID 130165444
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 43663776
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-[(1,2,3-thiadiazol-4-yl)methyl]cyclohexanamine
CID 43663791

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664001) is 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1snnc1CNCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is QIKUBJFBJOBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-6-15(7-3-1)8-4-5-12-9-11-10-16-14-13-11/h10,12H,1-9H2.
What are the key properties of 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).