2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine

C17H30N2S — CID 79817385

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2nc(C(C)(C)C)cs2)NC)C1
InChIInChI=1S/C17H30N2S/c1-6-12-7-8-13(9-12)14(18-5)10-16-19-15(11-20-16)17(2,3)4/h11-14,18H,6-10H2,1-5H3
InChIKeyYXGUEMGPKRCXPH-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine (PubChem CID 79817385) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
PubChem CID79817385
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2nc(C(C)(C)C)cs2)NC)C1
InChIInChI=1S/C17H30N2S/c1-6-12-7-8-13(9-12)14(18-5)10-16-19-15(11-20-16)17(2,3)4/h11-14,18H,6-10H2,1-5H3
InChIKeyYXGUEMGPKRCXPH-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015850
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015844
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine (CID 79817385) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine is CCC1CCC(C(Cc2nc(C(C)(C)C)cs2)NC)C1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
The InChIKey is YXGUEMGPKRCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-12-7-8-13(9-12)14(18-5)10-16-19-15(11-20-16)17(2,3)4/h11-14,18H,6-10H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine has a molecular weight of 294.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine is sourced from PubChem (CID 79817385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).