N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C18H28N2S — CID 43757558

IUPACN-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2S/c1-11-17(21-10-19-11)12(2)20-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,4-9H2,1-3H3
InChIKeyYBIALQDFTHJPGJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.71
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 43757558) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID43757558
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(C)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2S/c1-11-17(21-10-19-11)12(2)20-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,4-9H2,1-3H3
InChIKeyYBIALQDFTHJPGJ-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-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670008
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
CID 106226089
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
CID 115923399
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853
1-(4-fluorophenyl)-2-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43781500
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
1-cyclopropyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 43791348
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 7929638

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 43757558) is N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(C)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is YBIALQDFTHJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-11-17(21-10-19-11)12(2)20-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,4-9H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-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-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 43757558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).