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

C7H10F3N3S — CID 60892727

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1csc(N)n1)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-13(4-7(8,9)10)2-5-3-14-6(11)12-5/h3H,2,4H2,1H3,(H2,11,12)
InChIKeyLNLRQDZYRLWVSF-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.72
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 60892727) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID60892727
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1csc(N)n1)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-13(4-7(8,9)10)2-5-3-14-6(11)12-5/h3H,2,4H2,1H3,(H2,11,12)
InChIKeyLNLRQDZYRLWVSF-UHFFFAOYSA-N
XLogP1.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (CID 60892727) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is CN(Cc1csc(N)n1)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is LNLRQDZYRLWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-13(4-7(8,9)10)2-5-3-14-6(11)12-5/h3H,2,4H2,1H3,(H2,11,12).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 225.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60892727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).