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

C12H18N4OS — CID 106396454

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(C)(C)c1nc(CNCCc2ncon2)cs1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)11-15-9(7-18-11)6-13-5-4-10-14-8-17-16-10/h7-8,13H,4-6H2,1-3H3
InChIKeySTYQRCINUVGXKA-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.16
Rot. Bonds5

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396454) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396454
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(C)(C)c1nc(CNCCc2ncon2)cs1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)11-15-9(7-18-11)6-13-5-4-10-14-8-17-16-10/h7-8,13H,4-6H2,1-3H3
InChIKeySTYQRCINUVGXKA-UHFFFAOYSA-N
XLogP2.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.16
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

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396411
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 115683967
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
N-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 49463526
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395688

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396454) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is CC(C)(C)c1nc(CNCCc2ncon2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is STYQRCINUVGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2,3)11-15-9(7-18-11)6-13-5-4-10-14-8-17-16-10/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 266.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).