2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine

C12H20N2S — CID 83977485

IUPAC2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCC(C(CN)c2nccs2)CC1
InChIInChI=1S/C12H20N2S/c1-9-2-4-10(5-3-9)11(8-13)12-14-6-7-15-12/h6-7,9-11H,2-5,8,13H2,1H3
InChIKeyAQMJZFWOAMSUNF-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine

2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 83977485) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID83977485
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCC(C(CN)c2nccs2)CC1
InChIInChI=1S/C12H20N2S/c1-9-2-4-10(5-3-9)11(8-13)12-14-6-7-15-12/h6-7,9-11H,2-5,8,13H2,1H3
InChIKeyAQMJZFWOAMSUNF-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 116651463
2-[1-(2-methylpropyl)piperidin-2-yl]-2-(1,3-thiazol-2-yl)ethanamine
CID 83987819
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990558
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]propan-1-amine
CID 107133293
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 64990640
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114128154
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 83977485) is 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine is CC1CCC(C(CN)c2nccs2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is AQMJZFWOAMSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-2-4-10(5-3-9)11(8-13)12-14-6-7-15-12/h6-7,9-11H,2-5,8,13H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine?
2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 83977485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).