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

C10H14N4OS — CID 106398362

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(CNCCc2scnc2C)no1
InChIInChI=1S/C10H14N4OS/c1-7-9(16-6-12-7)3-4-11-5-10-13-8(2)15-14-10/h6,11H,3-5H2,1-2H3
InChIKeyGLULLPNJHSRWEU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.48
Rot. Bonds5

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 106398362) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID106398362
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(CNCCc2scnc2C)no1
InChIInChI=1S/C10H14N4OS/c1-7-9(16-6-12-7)3-4-11-5-10-13-8(2)15-14-10/h6,11H,3-5H2,1-2H3
InChIKeyGLULLPNJHSRWEU-UHFFFAOYSA-N
XLogP1.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104878939
N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55034678
2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895634
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 106398362) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(CNCCc2scnc2C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is GLULLPNJHSRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-9(16-6-12-7)3-4-11-5-10-13-8(2)15-14-10/h6,11H,3-5H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 238.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 106398362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).