2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide

C8H6F3N3OS — CID 22916686

IUPAC2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncc2sccn12)C(F)(F)F
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7(15)13-3-5-12-4-6-14(5)1-2-16-6/h1-2,4H,3H2,(H,13,15)
InChIKeyHLCHNNXGPQLOFH-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.57
Rot. Bonds2

About 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide (PubChem CID 22916686) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide
PubChem CID22916686
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncc2sccn12)C(F)(F)F
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)7(15)13-3-5-12-4-6-14(5)1-2-16-6/h1-2,4H,3H2,(H,13,15)
InChIKeyHLCHNNXGPQLOFH-UHFFFAOYSA-N
XLogP1.57
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide (CID 22916686) is 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide is O=C(NCc1ncc2sccn12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide?
The InChIKey is HLCHNNXGPQLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)7(15)13-3-5-12-4-6-14(5)1-2-16-6/h1-2,4H,3H2,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide has a molecular weight of 249.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 22916686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).