N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H19F3N2OS — CID 64993188

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1nccs1
InChIInChI=1S/C13H19F3N2OS/c1-9(12-17-5-6-20-12)18-10-3-2-4-11(7-10)19-8-13(14,15)16/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyGDRDSLZWQFARFU-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 64993188) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID64993188
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)c1nccs1
InChIInChI=1S/C13H19F3N2OS/c1-9(12-17-5-6-20-12)18-10-3-2-4-11(7-10)19-8-13(14,15)16/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyGDRDSLZWQFARFU-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 64993188) is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(NC1CCCC(OCC(F)(F)F)C1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is GDRDSLZWQFARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-9(12-17-5-6-20-12)18-10-3-2-4-11(7-10)19-8-13(14,15)16/h5-6,9-11,18H,2-4,7-8H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 64993188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).