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

C12H17F3N4S — CID 63787515

IUPAC5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C12H17F3N4S/c1-2-5-18(8-12(13,14)15)10-9(3-4-16)19-6-7-20-11(19)17-10/h6-7H,2-5,8,16H2,1H3
InChIKeyWHWQZNHCDVBNCH-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.68
Rot. Bonds6

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

5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63787515) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63787515
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC Name5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCN(CC(F)(F)F)c1nc2sccn2c1CCN
InChIInChI=1S/C12H17F3N4S/c1-2-5-18(8-12(13,14)15)10-9(3-4-16)19-6-7-20-11(19)17-10/h6-7H,2-5,8,16H2,1H3
InChIKeyWHWQZNHCDVBNCH-UHFFFAOYSA-N
XLogP2.68
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
3-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785003
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 60892756
5-(2-aminoethyl)-N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63783393
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112666806
5-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785509
5-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55236778
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
5-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785538
5-(2-aminoethyl)-N-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786863
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786892
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63787515) is 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCCN(CC(F)(F)F)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WHWQZNHCDVBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-2-5-18(8-12(13,14)15)10-9(3-4-16)19-6-7-20-11(19)17-10/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63787515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).