1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine

C16H26N2S — CID 105015850

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)C1CC2CC2C1
InChIInChI=1S/C16H26N2S/c1-16(2,3)14-9-19-15(18-14)8-13(17-4)12-6-10-5-11(10)7-12/h9-13,17H,5-8H2,1-4H3
InChIKeyJEZCHFKIJDOZDL-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 105015850) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID105015850
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)C1CC2CC2C1
InChIInChI=1S/C16H26N2S/c1-16(2,3)14-9-19-15(18-14)8-13(17-4)12-6-10-5-11(10)7-12/h9-13,17H,5-8H2,1-4H3
InChIKeyJEZCHFKIJDOZDL-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 79817385
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015844
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006662
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247183
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 105015850) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(Cc1nc(C(C)(C)C)cs1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is JEZCHFKIJDOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-16(2,3)14-9-19-15(18-14)8-13(17-4)12-6-10-5-11(10)7-12/h9-13,17H,5-8H2,1-4H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 105015850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).