N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine

C14H24N2S — CID 115768431

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
SMILESCC(NCc1cnc(C(C)(C)C)s1)C1CCC1
InChIInChI=1S/C14H24N2S/c1-10(11-6-5-7-11)15-8-12-9-16-13(17-12)14(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyRMGHNZIEYMAGHA-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine (PubChem CID 115768431) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
PubChem CID115768431
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
SMILESCC(NCc1cnc(C(C)(C)C)s1)C1CCC1
InChIInChI=1S/C14H24N2S/c1-10(11-6-5-7-11)15-8-12-9-16-13(17-12)14(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyRMGHNZIEYMAGHA-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640023
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 63121163
2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 63121141
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 63121121
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine (CID 115768431) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine is CC(NCc1cnc(C(C)(C)C)s1)C1CCC1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine?
The InChIKey is RMGHNZIEYMAGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(11-6-5-7-11)15-8-12-9-16-13(17-12)14(2,3)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine is sourced from PubChem (CID 115768431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).