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

C15H26N2OS — CID 170416688

IUPAC3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine
SMILESCC(C)(C)c1nc(CNC2(C(C)(C)C)COC2)cs1
InChIInChI=1S/C15H26N2OS/c1-13(2,3)12-17-11(8-19-12)7-16-15(9-18-10-15)14(4,5)6/h8,16H,7,9-10H2,1-6H3
InChIKeyJUSNRJOXXOPTGF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.35
Rot. Bonds3

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

3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine (PubChem CID 170416688) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine
PubChem CID170416688
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine
SMILESCC(C)(C)c1nc(CNC2(C(C)(C)C)COC2)cs1
InChIInChI=1S/C15H26N2OS/c1-13(2,3)12-17-11(8-19-12)7-16-15(9-18-10-15)14(4,5)6/h8,16H,7,9-10H2,1-6H3
InChIKeyJUSNRJOXXOPTGF-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61526468
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65804057
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081109
2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103081178
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 103151291
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103151312
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 103151337
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103151361

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine?
The IUPAC name of 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine (CID 170416688) is 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine.
What is the SMILES notation for 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine?
The canonical SMILES for 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine is CC(C)(C)c1nc(CNC2(C(C)(C)C)COC2)cs1.
What is the InChIKey of 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine?
The InChIKey is JUSNRJOXXOPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-13(2,3)12-17-11(8-19-12)7-16-15(9-18-10-15)14(4,5)6/h8,16H,7,9-10H2,1-6H3.
What are the key properties of 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine?
3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine has a molecular weight of 282.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 170416688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).