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

C11H20N4S — CID 65272861

IUPACN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C11H20N4S/c1-3-12-7-10-5-4-6-15(8-10)11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3
InChIKeyPFWNRMOORJWFDN-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.67
Rot. Bonds4

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

N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 65272861) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID65272861
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2nc(C)ns2)C1
InChIInChI=1S/C11H20N4S/c1-3-12-7-10-5-4-6-15(8-10)11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3
InChIKeyPFWNRMOORJWFDN-UHFFFAOYSA-N
XLogP1.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine (CID 65272861) is N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(c2nc(C)ns2)C1.
What is the InChIKey of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is PFWNRMOORJWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-12-7-10-5-4-6-15(8-10)11-13-9(2)14-16-11/h10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 65272861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).