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

C12H22N4S — CID 65208115

IUPACN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1c1nnc(C)s1
InChIInChI=1S/C12H22N4S/c1-3-7-13-9-11-6-4-5-8-16(11)12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3
InChIKeyUEEQHOUHNQPPEG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.21
Rot. Bonds5

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

N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 65208115) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID65208115
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1c1nnc(C)s1
InChIInChI=1S/C12H22N4S/c1-3-7-13-9-11-6-4-5-8-16(11)12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3
InChIKeyUEEQHOUHNQPPEG-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.21
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-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine (CID 65208115) is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1c1nnc(C)s1.
What is the InChIKey of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is UEEQHOUHNQPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-7-13-9-11-6-4-5-8-16(11)12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65208115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).