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

C7H8ClF3N2OS — CID 83152900

IUPAC4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)cs1
InChIInChI=1S/C7H8ClF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13)
InChIKeyDYBBNWDLEAWGCL-UHFFFAOYSA-N
MW260.67 g/mol
LogP2.79
Rot. Bonds5

About 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine

4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 83152900) has the molecular formula C7H8ClF3N2OS and a molecular weight of 260.67 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID83152900
Molecular FormulaC7H8ClF3N2OS
Molecular Weight260.67 g/mol
Exact Mass260.00
IUPAC Name4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)cs1
InChIInChI=1S/C7H8ClF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13)
InChIKeyDYBBNWDLEAWGCL-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 52.79
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 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 83152900) is 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is FC(F)(F)COCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is DYBBNWDLEAWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2OS/c8-5-3-15-6(13-5)12-1-2-14-4-7(9,10)11/h3H,1-2,4H2,(H,12,13).
What are the key properties of 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 260.67 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).