N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine

C14H26N4S — CID 65279975

IUPACN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H26N4S/c1-4-7-15-9-12-6-5-8-18(10-12)14-16-13(11(2)3)17-19-14/h11-12,15H,4-10H2,1-3H3
InChIKeyIOILHMXTBDYOFJ-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine

N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 65279975) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID65279975
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C14H26N4S/c1-4-7-15-9-12-6-5-8-18(10-12)14-16-13(11(2)3)17-19-14/h11-12,15H,4-10H2,1-3H3
InChIKeyIOILHMXTBDYOFJ-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine (CID 65279975) is N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(c2nc(C(C)C)ns2)C1.
What is the InChIKey of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is IOILHMXTBDYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-7-15-9-12-6-5-8-18(10-12)14-16-13(11(2)3)17-19-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine?
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 65279975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).