(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

C12H20N2S — CID 81384667

IUPAC(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1nccs1)C1CCCCC1
InChIInChI=1S/C12H20N2S/c1-10(11-5-3-2-4-6-11)14-9-12-13-7-8-15-12/h7-8,10-11,14H,2-6,9H2,1H3/t10-/m1/s1
InChIKeyJTWCNBJBQCLURI-SNVBAGLBSA-N
MW224.37 g/mol
LogP3.20
Rot. Bonds4

About (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 81384667) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID81384667
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1nccs1)C1CCCCC1
InChIInChI=1S/C12H20N2S/c1-10(11-5-3-2-4-6-11)14-9-12-13-7-8-15-12/h7-8,10-11,14H,2-6,9H2,1H3/t10-/m1/s1
InChIKeyJTWCNBJBQCLURI-SNVBAGLBSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62998246
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175411
3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103257519
1-cyclohexyl-2-(1,3-thiazol-2-yl)ethanol
CID 79824321
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
[1-cyclooctyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105255195

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 81384667) is (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is C[C@@H](NCc1nccs1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is JTWCNBJBQCLURI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(11-5-3-2-4-6-11)14-9-12-13-7-8-15-12/h7-8,10-11,14H,2-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81384667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).