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

C9H8F3N3OS — CID 22916700

IUPAC2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc2sccn12)C(=O)C(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c1-14(8(16)9(10,11)12)5-6-13-4-7-15(6)2-3-17-7/h2-4H,5H2,1H3
InChIKeyCUCLVQVQFXRNRD-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.92
Rot. Bonds2

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

2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide (PubChem CID 22916700) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide
PubChem CID22916700
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc2sccn12)C(=O)C(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c1-14(8(16)9(10,11)12)5-6-13-4-7-15(6)2-3-17-7/h2-4H,5H2,1H3
InChIKeyCUCLVQVQFXRNRD-UHFFFAOYSA-N
XLogP1.92
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
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)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide (CID 22916700) is 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide is CN(Cc1ncc2sccn12)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide?
The InChIKey is CUCLVQVQFXRNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-14(8(16)9(10,11)12)5-6-13-4-7-15(6)2-3-17-7/h2-4H,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide?
2,2,2-trifluoro-N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylacetamide has a molecular weight of 263.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 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)-N-methylacetamide is sourced from PubChem (CID 22916700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).