1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

C12H19ClN2S — CID 120580472

IUPAC1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(C2CC3CCC2C3)cs1.Cl
InChIInChI=1S/C12H18N2S.ClH/c1-7(13)12-14-11(6-15-12)10-5-8-2-3-9(10)4-8;/h6-10H,2-5,13H2,1H3;1H
InChIKeyPBPLKENAEVKPJY-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.49
Rot. Bonds2

About 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (PubChem CID 120580472) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
PubChem CID120580472
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(C2CC3CCC2C3)cs1.Cl
InChIInChI=1S/C12H18N2S.ClH/c1-7(13)12-14-11(6-15-12)10-5-8-2-3-9(10)4-8;/h6-10H,2-5,13H2,1H3;1H
InChIKeyPBPLKENAEVKPJY-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384871
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
4-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]morpholine
CID 166218622
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431749
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070959
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
CID 102340250
N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 125138603
N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122145804
3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
CID 122150546
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (CID 120580472) is 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is CC(N)c1nc(C2CC3CCC2C3)cs1.Cl.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is PBPLKENAEVKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S.ClH/c1-7(13)12-14-11(6-15-12)10-5-8-2-3-9(10)4-8;/h6-10H,2-5,13H2,1H3;1H.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 258.82 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120580472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).