5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C11H15F3N4S — CID 63787511

IUPAC5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C11H15F3N4S/c1-2-17(7-11(12,13)14)9-8(3-4-15)18-5-6-19-10(18)16-9/h5-6H,2-4,7,15H2,1H3
InChIKeyVRBPSDWBADKCKE-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.29
Rot. Bonds5

About 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63787511) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63787511
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C11H15F3N4S/c1-2-17(7-11(12,13)14)9-8(3-4-15)18-5-6-19-10(18)16-9/h5-6H,2-4,7,15H2,1H3
InChIKeyVRBPSDWBADKCKE-UHFFFAOYSA-N
XLogP2.29
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63787511) is 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCN(CC(F)(F)F)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is VRBPSDWBADKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-2-17(7-11(12,13)14)9-8(3-4-15)18-5-6-19-10(18)16-9/h5-6H,2-4,7,15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 292.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63787511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).