1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine

C17H22N2S — CID 68678292

IUPAC1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3nccs3)cc2)CCCCC1
InChIInChI=1S/C17H22N2S/c1-13(18)17(9-3-2-4-10-17)15-7-5-14(6-8-15)16-19-11-12-20-16/h5-8,11-13H,2-4,9-10,18H2,1H3
InChIKeyQPSKHSCRPKZCND-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.36
Rot. Bonds3

About 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine

1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine (PubChem CID 68678292) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine
PubChem CID68678292
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine
SMILESCC(N)C1(c2ccc(-c3nccs3)cc2)CCCCC1
InChIInChI=1S/C17H22N2S/c1-13(18)17(9-3-2-4-10-17)15-7-5-14(6-8-15)16-19-11-12-20-16/h5-8,11-13H,2-4,9-10,18H2,1H3
InChIKeyQPSKHSCRPKZCND-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine?
The IUPAC name of 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine (CID 68678292) is 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine?
The canonical SMILES for 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine is CC(N)C1(c2ccc(-c3nccs3)cc2)CCCCC1.
What is the InChIKey of 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine?
The InChIKey is QPSKHSCRPKZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(18)17(9-3-2-4-10-17)15-7-5-14(6-8-15)16-19-11-12-20-16/h5-8,11-13H,2-4,9-10,18H2,1H3.
What are the key properties of 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine?
1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(1,3-thiazol-2-yl)phenyl]cyclohexyl]ethanamine is sourced from PubChem (CID 68678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).