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

C10H13F3N4S — CID 55236383

IUPAC5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C10H13F3N4S/c1-16(6-10(11,12)13)8-7(2-3-14)17-4-5-18-9(17)15-8/h4-5H,2-3,6,14H2,1H3
InChIKeyIPFAWZLDKGFJGM-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.90
Rot. Bonds4

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

5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 55236383) has the molecular formula C10H13F3N4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID55236383
Molecular FormulaC10H13F3N4S
Molecular Weight278.30 g/mol
Exact Mass278.08
IUPAC Name5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C10H13F3N4S/c1-16(6-10(11,12)13)8-7(2-3-14)17-4-5-18-9(17)15-8/h4-5H,2-3,6,14H2,1H3
InChIKeyIPFAWZLDKGFJGM-UHFFFAOYSA-N
XLogP1.90
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.90
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-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 55236383) is 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CN(CC(F)(F)F)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IPFAWZLDKGFJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4S/c1-16(6-10(11,12)13)8-7(2-3-14)17-4-5-18-9(17)15-8/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 278.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 55236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).