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

C11H11ClF3N3S — CID 55010833

IUPAC5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESFC(F)(F)CN(c1nc2sccn2c1CCl)C1CC1
InChIInChI=1S/C11H11ClF3N3S/c12-5-8-9(16-10-17(8)3-4-19-10)18(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyPPQISJLSNAPCCO-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.67
Rot. Bonds4

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

5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 55010833) has the molecular formula C11H11ClF3N3S and a molecular weight of 309.74 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID55010833
Molecular FormulaC11H11ClF3N3S
Molecular Weight309.74 g/mol
Exact Mass309.03
IUPAC Name5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESFC(F)(F)CN(c1nc2sccn2c1CCl)C1CC1
InChIInChI=1S/C11H11ClF3N3S/c12-5-8-9(16-10-17(8)3-4-19-10)18(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyPPQISJLSNAPCCO-UHFFFAOYSA-N
XLogP3.67
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.67
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-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 55010833) is 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is FC(F)(F)CN(c1nc2sccn2c1CCl)C1CC1.
What is the InChIKey of 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PPQISJLSNAPCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3S/c12-5-8-9(16-10-17(8)3-4-19-10)18(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 309.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 55010833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).