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

C11H16N4OS — CID 62795122

IUPACN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C11H16N4OS/c1-3-12-5-4-10-14-9(15-16-10)6-11-13-8(2)7-17-11/h7,12H,3-6H2,1-2H3
InChIKeyRQQJPLHIEFYDKQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.58
Rot. Bonds6

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

N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62795122) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62795122
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C11H16N4OS/c1-3-12-5-4-10-14-9(15-16-10)6-11-13-8(2)7-17-11/h7,12H,3-6H2,1-2H3
InChIKeyRQQJPLHIEFYDKQ-UHFFFAOYSA-N
XLogP1.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 62795122) is N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is CCNCCc1nc(Cc2nc(C)cs2)no1.
What is the InChIKey of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RQQJPLHIEFYDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-12-5-4-10-14-9(15-16-10)6-11-13-8(2)7-17-11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62795122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).