N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine

C12H16F3N3S — CID 115516394

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCC(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-8-7-19-11-17-9(2)10(18(8)11)6-16-5-3-4-12(13,14)15/h7,16H,3-6H2,1-2H3
InChIKeyPLGJSESFIRGTQF-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.44
Rot. Bonds5

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 115516394) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID115516394
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCC(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-8-7-19-11-17-9(2)10(18(8)11)6-16-5-3-4-12(13,14)15/h7,16H,3-6H2,1-2H3
InChIKeyPLGJSESFIRGTQF-UHFFFAOYSA-N
XLogP3.44
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine (CID 115516394) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine is Cc1nc2scc(C)n2c1CNCCCC(F)(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is PLGJSESFIRGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c1-8-7-19-11-17-9(2)10(18(8)11)6-16-5-3-4-12(13,14)15/h7,16H,3-6H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115516394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).