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

C16H28N2S — CID 104862931

IUPAC(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
SMILESC[C@@H](NCc1csc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H28N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h11-13,17H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyNUFZZBIQKOUHBP-GFCCVEGCSA-N
MW280.48 g/mol
LogP4.50
Rot. Bonds4

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

(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine (PubChem CID 104862931) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
PubChem CID104862931
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
SMILESC[C@@H](NCc1csc(C(C)(C)C)n1)C1CCCCC1
InChIInChI=1S/C16H28N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h11-13,17H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyNUFZZBIQKOUHBP-GFCCVEGCSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115592259
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine
CID 115595884
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
CID 120511468

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine (CID 104862931) is (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine is C[C@@H](NCc1csc(C(C)(C)C)n1)C1CCCCC1.
What is the InChIKey of (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine?
The InChIKey is NUFZZBIQKOUHBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h11-13,17H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine?
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine has a molecular weight of 280.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 104862931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).