1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine

C12H22N2OS — CID 82710745

IUPAC1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-9(2)8-15-14-7-10-6-13-11(16-10)12(3,4)5/h6,9,14H,7-8H2,1-5H3
InChIKeyHUFHMGDPOYOMFC-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine

1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine (PubChem CID 82710745) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
PubChem CID82710745
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-9(2)8-15-14-7-10-6-13-11(16-10)12(3,4)5/h6,9,14H,7-8H2,1-5H3
InChIKeyHUFHMGDPOYOMFC-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 63121141
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983884
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640023
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 63121121
1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111579157
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine (CID 82710745) is 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine is CC(C)CONCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The InChIKey is HUFHMGDPOYOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)8-15-14-7-10-6-13-11(16-10)12(3,4)5/h6,9,14H,7-8H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine has a molecular weight of 242.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82710745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).