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

C9H14F3N3S — CID 62750174

IUPAC5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(C(C)N)s1
InChIInChI=1S/C9H14F3N3S/c1-3-15(5-9(10,11)12)8-14-4-7(16-8)6(2)13/h4,6H,3,5,13H2,1-2H3
InChIKeyURVJBHZMEYDCJU-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.55
Rot. Bonds4

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

5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62750174) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62750174
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(C(C)N)s1
InChIInChI=1S/C9H14F3N3S/c1-3-15(5-9(10,11)12)8-14-4-7(16-8)6(2)13/h4,6H,3,5,13H2,1-2H3
InChIKeyURVJBHZMEYDCJU-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.55
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-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62750174) is 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1ncc(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is URVJBHZMEYDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-3-15(5-9(10,11)12)8-14-4-7(16-8)6(2)13/h4,6H,3,5,13H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).