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

C11H13BrF3N3S — CID 107082270

IUPAC5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)N(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C11H13BrF3N3S/c1-7(2)18(6-11(13,14)15)9-8(5-12)17-3-4-19-10(17)16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyORTPRWOKMSPJJN-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.07
Rot. Bonds4

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

5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107082270) has the molecular formula C11H13BrF3N3S and a molecular weight of 356.21 g/mol. Its IUPAC name is 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107082270
Molecular FormulaC11H13BrF3N3S
Molecular Weight356.21 g/mol
Exact Mass355.00
IUPAC Name5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(C)N(CC(F)(F)F)c1nc2sccn2c1CBr
InChIInChI=1S/C11H13BrF3N3S/c1-7(2)18(6-11(13,14)15)9-8(5-12)17-3-4-19-10(17)16-9/h3-4,7H,5-6H2,1-2H3
InChIKeyORTPRWOKMSPJJN-UHFFFAOYSA-N
XLogP4.07
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.07
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-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 107082270) is 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CC(C)N(CC(F)(F)F)c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is ORTPRWOKMSPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3S/c1-7(2)18(6-11(13,14)15)9-8(5-12)17-3-4-19-10(17)16-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 356.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107082270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).