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

C10H13F3N2O2S — CID 78876407

IUPAC4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOCCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-2-17-5-3-4-8(16)15-9-14-7(6-18-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyFHJFTDGLNBRASW-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.92
Rot. Bonds6

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

4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 78876407) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID78876407
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOCCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-2-17-5-3-4-8(16)15-9-14-7(6-18-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyFHJFTDGLNBRASW-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 78876407) is 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is CCOCCCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is FHJFTDGLNBRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-2-17-5-3-4-8(16)15-9-14-7(6-18-9)10(11,12)13/h6H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 282.29 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 78876407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).