1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine

C13H19F3N2OS — CID 103151304

IUPAC1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H19F3N2OS/c14-13(15,16)9-19-7-4-11-18-10(8-20-11)12(17)5-2-1-3-6-12/h8H,1-7,9,17H2
InChIKeyYDGSNSBDSIZOEJ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine (PubChem CID 103151304) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
PubChem CID103151304
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H19F3N2OS/c14-13(15,16)9-19-7-4-11-18-10(8-20-11)12(17)5-2-1-3-6-12/h8H,1-7,9,17H2
InChIKeyYDGSNSBDSIZOEJ-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine (CID 103151304) is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine is NC1(c2csc(CCOCC(F)(F)F)n2)CCCCC1.
What is the InChIKey of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
The InChIKey is YDGSNSBDSIZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c14-13(15,16)9-19-7-4-11-18-10(8-20-11)12(17)5-2-1-3-6-12/h8H,1-7,9,17H2.
What are the key properties of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine?
1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine has a molecular weight of 308.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 103151304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).