1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C13H20N2S — CID 62998246

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)C1CC2CCC1C2
InChIInChI=1S/C13H20N2S/c1-9(15-8-13-14-4-5-16-13)12-7-10-2-3-11(12)6-10/h4-5,9-12,15H,2-3,6-8H2,1H3
InChIKeyJJJGDPOQAZFRBN-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 62998246) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID62998246
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)C1CC2CCC1C2
InChIInChI=1S/C13H20N2S/c1-9(15-8-13-14-4-5-16-13)12-7-10-2-3-11(12)6-10/h4-5,9-12,15H,2-3,6-8H2,1H3
InChIKeyJJJGDPOQAZFRBN-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81384667
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 129431229
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 115685934
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 129428935
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-2,6-dibromophenol
CID 103602736
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 56814804
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 62998246) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(NCc1nccs1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is JJJGDPOQAZFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9(15-8-13-14-4-5-16-13)12-7-10-2-3-11(12)6-10/h4-5,9-12,15H,2-3,6-8H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 62998246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).