2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C11H10F3N5S — CID 63816259

IUPAC2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C11H10F3N5S/c12-11(13,14)8-2-4-19(17-8)9-7(1-3-15)18-5-6-20-10(18)16-9/h2,4-6H,1,3,15H2
InChIKeyUSIKVAGBTFUNGG-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.10
Rot. Bonds3

About 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 63816259) has the molecular formula C11H10F3N5S and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID63816259
Molecular FormulaC11H10F3N5S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC Name2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C11H10F3N5S/c12-11(13,14)8-2-4-19(17-8)9-7(1-3-15)18-5-6-20-10(18)16-9/h2,4-6H,1,3,15H2
InChIKeyUSIKVAGBTFUNGG-UHFFFAOYSA-N
XLogP2.10
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 63816259) is 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is NCCc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12.
What is the InChIKey of 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is USIKVAGBTFUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S/c12-11(13,14)8-2-4-19(17-8)9-7(1-3-15)18-5-6-20-10(18)16-9/h2,4-6H,1,3,15H2.
What are the key properties of 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 301.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 63816259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).