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

C12H22N4S — CID 65276254

IUPACN-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
SMILESCCCc1nsc(N2CCCC(CNC)C2)n1
InChIInChI=1S/C12H22N4S/c1-3-5-11-14-12(17-15-11)16-7-4-6-10(9-16)8-13-2/h10,13H,3-9H2,1-2H3
InChIKeyFRPRVIVRAQXSAF-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.93
Rot. Bonds5

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

N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine (PubChem CID 65276254) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
PubChem CID65276254
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
SMILESCCCc1nsc(N2CCCC(CNC)C2)n1
InChIInChI=1S/C12H22N4S/c1-3-5-11-14-12(17-15-11)16-7-4-6-10(9-16)8-13-2/h10,13H,3-9H2,1-2H3
InChIKeyFRPRVIVRAQXSAF-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine (CID 65276254) is N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine is CCCc1nsc(N2CCCC(CNC)C2)n1.
What is the InChIKey of N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine?
The InChIKey is FRPRVIVRAQXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-5-11-14-12(17-15-11)16-7-4-6-10(9-16)8-13-2/h10,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 65276254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).