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

C18H28N2S — CID 43670008

IUPACN-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H28N2S/c1-11(17-10-21-13(3)20-17)19-12(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10-12,14-16,19H,4-9H2,1-3H3
InChIKeyMJCKVFMKCZWIJG-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.71
Rot. Bonds4

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

N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43670008) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43670008
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H28N2S/c1-11(17-10-21-13(3)20-17)19-12(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10-12,14-16,19H,4-9H2,1-3H3
InChIKeyMJCKVFMKCZWIJG-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43757558
1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106039302
3,3,5,5-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 103965737
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103782650
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
2,2,6,6-tetramethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 43670213
[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
(1S)-1-(furan-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81409314
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 43670008) is N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NC(C)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is MJCKVFMKCZWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-11(17-10-21-13(3)20-17)19-12(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10-12,14-16,19H,4-9H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 304.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43670008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).