5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H12F3N3S — CID 62751193

IUPAC5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-5(12)6-3-13-7(15-6)14(2)4-8(9,10)11/h3,5H,4,12H2,1-2H3
InChIKeyWQUWIPXUXCXOBQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.16
Rot. Bonds3

About 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62751193) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62751193
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-5(12)6-3-13-7(15-6)14(2)4-8(9,10)11/h3,5H,4,12H2,1-2H3
InChIKeyWQUWIPXUXCXOBQ-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62751193) is 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(N)c1cnc(N(C)CC(F)(F)F)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is WQUWIPXUXCXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5(12)6-3-13-7(15-6)14(2)4-8(9,10)11/h3,5H,4,12H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62751193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).