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

C9H13F3N2OS — CID 63828443

IUPAC4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h5H,2-4,6H2,1H3,(H,13,14)
InChIKeyWGZMOGHMQVQBKH-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.70
Rot. Bonds6

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

4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 63828443) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID63828443
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h5H,2-4,6H2,1H3,(H,13,14)
InChIKeyWGZMOGHMQVQBKH-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.70
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-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 63828443) is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is CCc1csc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WGZMOGHMQVQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-2-7-5-16-8(14-7)13-3-4-15-6-9(10,11)12/h5H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63828443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).