4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide

C9H11F3N2OS — CID 91786969

IUPAC4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCc1nccs1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-7(15)13-4-2-8-14-5-6-16-8/h5-6H,1-4H2,(H,13,15)
InChIKeyNJJLJYCBOAGGOI-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.14
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 91786969) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID91786969
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCc1nccs1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-7(15)13-4-2-8-14-5-6-16-8/h5-6H,1-4H2,(H,13,15)
InChIKeyNJJLJYCBOAGGOI-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.14
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-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (CID 91786969) is 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is O=C(CCC(F)(F)F)NCCc1nccs1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is NJJLJYCBOAGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)3-1-7(15)13-4-2-8-14-5-6-16-8/h5-6H,1-4H2,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 252.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 91786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).