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

C14H13F3N2O2S — CID 145420152

IUPAC4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-18-13(22-11)19-12(20)7-4-8-21-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19,20)
InChIKeyHWRZXWHZZXASSV-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.96
Rot. Bonds6

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

4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 145420152) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID145420152
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-18-13(22-11)19-12(20)7-4-8-21-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19,20)
InChIKeyHWRZXWHZZXASSV-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.96
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-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 145420152) is 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is O=C(CCCOc1ccccc1)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is HWRZXWHZZXASSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)11-9-18-13(22-11)19-12(20)7-4-8-21-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19,20).
What are the key properties of 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 330.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 145420152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).