5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

C8H12F3N3S — CID 79772688

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1cnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)4-6-3-13-7(12)15-6/h3H,2,4-5H2,1H3,(H2,12,13)
InChIKeyBGNHQJLGYMCZQF-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.11
Rot. Bonds4

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772688) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79772688
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1cnc(N)s1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)4-6-3-13-7(12)15-6/h3H,2,4-5H2,1H3,(H2,12,13)
InChIKeyBGNHQJLGYMCZQF-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (CID 79772688) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is CCN(Cc1cnc(N)s1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BGNHQJLGYMCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)4-6-3-13-7(12)15-6/h3H,2,4-5H2,1H3,(H2,12,13).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).