4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

C15H12F6N2O2S — CID 155549712

IUPAC4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C15H12F6N2O2S/c16-14(17,18)9-3-1-4-10(7-9)25-6-2-5-12(24)23-13-22-8-11(26-13)15(19,20)21/h1,3-4,7-8H,2,5-6H2,(H,22,23,24)
InChIKeyZSSUZJKCBCTPDJ-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.98
Rot. Bonds6

About 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 155549712) has the molecular formula C15H12F6N2O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID155549712
Molecular FormulaC15H12F6N2O2S
Molecular Weight398.33 g/mol
Exact Mass398.05
IUPAC Name4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C15H12F6N2O2S/c16-14(17,18)9-3-1-4-10(7-9)25-6-2-5-12(24)23-13-22-8-11(26-13)15(19,20)21/h1,3-4,7-8H,2,5-6H2,(H,22,23,24)
InChIKeyZSSUZJKCBCTPDJ-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 155549712) is 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is O=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is ZSSUZJKCBCTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O2S/c16-14(17,18)9-3-1-4-10(7-9)25-6-2-5-12(24)23-13-22-8-11(26-13)15(19,20)21/h1,3-4,7-8H,2,5-6H2,(H,22,23,24).
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 398.33 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 155549712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).