4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide

C7H7F3N2OS — CID 121379015

IUPAC4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide
SMILESNC(=O)CC(c1cncs1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)4(1-6(11)13)5-2-12-3-14-5/h2-4H,1H2,(H2,11,13)
InChIKeyLOAJRPLGQNARNL-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.66
Rot. Bonds3

About 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide

4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide (PubChem CID 121379015) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide
PubChem CID121379015
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide
SMILESNC(=O)CC(c1cncs1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)4(1-6(11)13)5-2-12-3-14-5/h2-4H,1H2,(H2,11,13)
InChIKeyLOAJRPLGQNARNL-UHFFFAOYSA-N
XLogP1.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide (CID 121379015) is 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide is NC(=O)CC(c1cncs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide?
The InChIKey is LOAJRPLGQNARNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)4(1-6(11)13)5-2-12-3-14-5/h2-4H,1H2,(H2,11,13).
What are the key properties of 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide?
4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide has a molecular weight of 224.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1,3-thiazol-5-yl)butanamide is sourced from PubChem (CID 121379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).