1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C18H28N2S — CID 104997094

IUPAC1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2S/c1-3-19-17(9-16-10-21-11(2)20-16)18-14-5-12-4-13(7-14)8-15(18)6-12/h10,12-15,17-19H,3-9H2,1-2H3
InChIKeyMHUONYRDJTUWRY-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997094) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997094
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCNC(Cc1csc(C)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2S/c1-3-19-17(9-16-10-21-11(2)20-16)18-14-5-12-4-13(7-14)8-15(18)6-12/h10,12-15,17-19H,3-9H2,1-2H3
InChIKeyMHUONYRDJTUWRY-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312071
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
1-(2-adamantyl)-N-ethyl-3-methylbutan-1-amine
CID 115782496
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
[2-(2-methyl-1,3-thiazol-4-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221717
N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 79966820
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997094) is 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCNC(Cc1csc(C)n1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is MHUONYRDJTUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-3-19-17(9-16-10-21-11(2)20-16)18-14-5-12-4-13(7-14)8-15(18)6-12/h10,12-15,17-19H,3-9H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 304.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).