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

C7H9F3N2OS — CID 60730979

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nccs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-13-3-1-11-6-12-2-4-14-6/h2,4H,1,3,5H2,(H,11,12)
InChIKeyOACUYDINDQTXSR-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.13
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 60730979) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID60730979
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nccs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-13-3-1-11-6-12-2-4-14-6/h2,4H,1,3,5H2,(H,11,12)
InChIKeyOACUYDINDQTXSR-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.13
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 60730979) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is FC(F)(F)COCCNc1nccs1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is OACUYDINDQTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)5-13-3-1-11-6-12-2-4-14-6/h2,4H,1,3,5H2,(H,11,12).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 226.22 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60730979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).