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

C13H19F3N4S — CID 63795419

IUPAC5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(CC)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C13H19F3N4S/c1-3-9(17)7-10-11(18-12-20(10)5-6-21-12)19(4-2)8-13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyIPHIBQHUQXFMTE-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.06
Rot. Bonds6

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

5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63795419) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63795419
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(CC)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C13H19F3N4S/c1-3-9(17)7-10-11(18-12-20(10)5-6-21-12)19(4-2)8-13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyIPHIBQHUQXFMTE-UHFFFAOYSA-N
XLogP3.06
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63795419) is 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCC(N)Cc1c(N(CC)CC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IPHIBQHUQXFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c1-3-9(17)7-10-11(18-12-20(10)5-6-21-12)19(4-2)8-13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 320.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-ethyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63795419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).