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

C11H13ClF3N3S — CID 55010252

IUPAC5-(chloromethyl)-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)c1nc2sccn2c1CCl
InChIInChI=1S/C11H13ClF3N3S/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
InChIKeyCMHVHZMLISDFGA-UHFFFAOYSA-N
MW311.76 g/mol
LogP3.91
Rot. Bonds4

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

5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 55010252) has the molecular formula C11H13ClF3N3S and a molecular weight of 311.76 g/mol. Its IUPAC name is 5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID55010252
Molecular FormulaC11H13ClF3N3S
Molecular Weight311.76 g/mol
Exact Mass311.05
IUPAC Name5-(chloromethyl)-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)c1nc2sccn2c1CCl
InChIInChI=1S/C11H13ClF3N3S/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
InChIKeyCMHVHZMLISDFGA-UHFFFAOYSA-N
XLogP3.91
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 53.91
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-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 55010252) is 5-(chloromethyl)-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-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(chloromethyl)-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)c1nc2sccn2c1CCl.
What is the InChIKey of 5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is CMHVHZMLISDFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3S/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-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 311.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 55010252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).