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

C17H22N2S — CID 64544874

IUPAC1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C17H22N2S/c1-13(18)15-12-20-16(19-15)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11,18H2,1H3
InChIKeyAZPHRYPVNNXHJH-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.41
Rot. Bonds3

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

1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544874) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64544874
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C17H22N2S/c1-13(18)15-12-20-16(19-15)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11,18H2,1H3
InChIKeyAZPHRYPVNNXHJH-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine (CID 64544874) is 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(C2(c3ccccc3)CCCCC2)n1.
What is the InChIKey of 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is AZPHRYPVNNXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(18)15-12-20-16(19-15)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11,18H2,1H3.
What are the key properties of 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylcyclohexyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).