5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C8H13F3N2OS — CID 63827565

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C8H13F3N2OS/c1-6-4-13-7(15-6)12-2-3-14-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyDAFJASGNGLEWBI-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.65
Rot. Bonds4

About 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63827565) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63827565
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C8H13F3N2OS/c1-6-4-13-7(15-6)12-2-3-14-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyDAFJASGNGLEWBI-UHFFFAOYSA-N
XLogP1.65
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.65
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 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63827565) is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCOCC(F)(F)F)S1.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DAFJASGNGLEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-6-4-13-7(15-6)12-2-3-14-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63827565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).