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

C18H28N2S — CID 106039302

IUPAC1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H28N2S/c1-12(19-4-3-17-11-21-13(2)20-17)18-8-14-5-15(9-18)7-16(6-14)10-18/h11-12,14-16,19H,3-10H2,1-2H3
InChIKeySITJQFURPDYARJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.19
Rot. Bonds5

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

1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 106039302) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID106039302
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H28N2S/c1-12(19-4-3-17-11-21-13(2)20-17)18-8-14-5-15(9-18)7-16(6-14)10-18/h11-12,14-16,19H,3-10H2,1-2H3
InChIKeySITJQFURPDYARJ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-adamantyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214513
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670008
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 106038848
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
1-(1-adamantyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 75423297

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 106039302) is 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(CCNC(C)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is SITJQFURPDYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-12(19-4-3-17-11-21-13(2)20-17)18-8-14-5-15(9-18)7-16(6-14)10-18/h11-12,14-16,19H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 304.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 106039302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).