N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

C13H20N4OS — CID 63561260

IUPACN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(NC)C(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C13H20N4OS/c1-5-11(14-4)8(2)13-16-12(17-18-13)6-10-7-19-9(3)15-10/h7-8,11,14H,5-6H2,1-4H3
InChIKeyJUZROHLTVSOAFE-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine

N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 63561260) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID63561260
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(NC)C(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C13H20N4OS/c1-5-11(14-4)8(2)13-16-12(17-18-13)6-10-7-19-9(3)15-10/h7-8,11,14H,5-6H2,1-4H3
InChIKeyJUZROHLTVSOAFE-UHFFFAOYSA-N
XLogP2.53
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 63561260) is N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(NC)C(C)c1nc(Cc2csc(C)n2)no1.
What is the InChIKey of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is JUZROHLTVSOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-5-11(14-4)8(2)13-16-12(17-18-13)6-10-7-19-9(3)15-10/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 280.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 63561260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).