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

C8H11F3N2OS — CID 63827378

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-6-4-15-7(13-6)12-2-3-14-5-8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRUWWMZBPBLEDFV-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.44
Rot. Bonds5

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

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 63827378) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID63827378
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-6-4-15-7(13-6)12-2-3-14-5-8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRUWWMZBPBLEDFV-UHFFFAOYSA-N
XLogP2.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.44
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-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 63827378) is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is Cc1csc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is RUWWMZBPBLEDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-6-4-15-7(13-6)12-2-3-14-5-8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 240.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63827378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).