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

C10H14N4OS — CID 62800359

IUPACN-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C10H14N4OS/c1-6(11-3)10-13-9(14-15-10)4-8-5-16-7(2)12-8/h5-6,11H,4H2,1-3H3
InChIKeyMFGDLDXKNZIWCF-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.71
Rot. Bonds4

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

N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62800359) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62800359
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(Cc2csc(C)n2)no1
InChIInChI=1S/C10H14N4OS/c1-6(11-3)10-13-9(14-15-10)4-8-5-16-7(2)12-8/h5-6,11H,4H2,1-3H3
InChIKeyMFGDLDXKNZIWCF-UHFFFAOYSA-N
XLogP1.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 62800359) is N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is CNC(C)c1nc(Cc2csc(C)n2)no1.
What is the InChIKey of N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MFGDLDXKNZIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(11-3)10-13-9(14-15-10)4-8-5-16-7(2)12-8/h5-6,11H,4H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 238.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62800359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).