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

C16H28N2OS — CID 115595884

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine
SMILESCC(C)(C)c1nc(CNCCOC2CCCCC2)cs1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)15-18-13(12-20-15)11-17-9-10-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3
InChIKeyYZRUYRZRARCQDZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.88
Rot. Bonds6

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine (PubChem CID 115595884) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine
PubChem CID115595884
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine
SMILESCC(C)(C)c1nc(CNCCOC2CCCCC2)cs1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)15-18-13(12-20-15)11-17-9-10-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3
InChIKeyYZRUYRZRARCQDZ-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529638
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625161
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]-1-(oxan-3-yl)methanamine
CID 115592245
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
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]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine (CID 115595884) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine is CC(C)(C)c1nc(CNCCOC2CCCCC2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine?
The InChIKey is YZRUYRZRARCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)15-18-13(12-20-15)11-17-9-10-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine is sourced from PubChem (CID 115595884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).