1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C8H8F3N3S — CID 105023427

IUPAC1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(F)(F)F
InChIInChI=1S/C8H8F3N3S/c9-8(10,11)6(12)3-5-4-14-1-2-15-7(14)13-5/h1-2,4,6H,3,12H2
InChIKeyNOANIRNDGVUZQU-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.83
Rot. Bonds2

About 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 105023427) has the molecular formula C8H8F3N3S and a molecular weight of 235.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID105023427
Molecular FormulaC8H8F3N3S
Molecular Weight235.23 g/mol
Exact Mass235.04
IUPAC Name1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(F)(F)F
InChIInChI=1S/C8H8F3N3S/c9-8(10,11)6(12)3-5-4-14-1-2-15-7(14)13-5/h1-2,4,6H,3,12H2
InChIKeyNOANIRNDGVUZQU-UHFFFAOYSA-N
XLogP1.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 105023427) is 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is NC(Cc1cn2ccsc2n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is NOANIRNDGVUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3S/c9-8(10,11)6(12)3-5-4-14-1-2-15-7(14)13-5/h1-2,4,6H,3,12H2.
What are the key properties of 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 235.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 105023427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).