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

C9H9BrF3N3S — CID 107080703

IUPAC5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C9H9BrF3N3S/c1-15(5-9(11,12)13)7-6(4-10)16-2-3-17-8(16)14-7/h2-3H,4-5H2,1H3
InChIKeyICTVRIGZHCYTQO-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.29
Rot. Bonds3

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

5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107080703) has the molecular formula C9H9BrF3N3S and a molecular weight of 328.16 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107080703
Molecular FormulaC9H9BrF3N3S
Molecular Weight328.16 g/mol
Exact Mass326.97
IUPAC Name5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C9H9BrF3N3S/c1-15(5-9(11,12)13)7-6(4-10)16-2-3-17-8(16)14-7/h2-3H,4-5H2,1H3
InChIKeyICTVRIGZHCYTQO-UHFFFAOYSA-N
XLogP3.29
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 107080703) is 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CN(CC(F)(F)F)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is ICTVRIGZHCYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3S/c1-15(5-9(11,12)13)7-6(4-10)16-2-3-17-8(16)14-7/h2-3H,4-5H2,1H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 328.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107080703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).