N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide

C19H14F4N2OS — CID 46948433

IUPACN-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C19H14F4N2OS/c1-11(26)24-17(13-5-3-7-15(20)9-13)18-25-16(10-27-18)12-4-2-6-14(8-12)19(21,22)23/h2-10,17H,1H3,(H,24,26)
InChIKeyMAKVHFBAGWFZKN-UHFFFAOYSA-N
MW394.39 g/mol
LogP5.19
Rot. Bonds4

About N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46948433) has the molecular formula C19H14F4N2OS and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46948433
Molecular FormulaC19H14F4N2OS
Molecular Weight394.39 g/mol
Exact Mass394.08
IUPAC NameN-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C19H14F4N2OS/c1-11(26)24-17(13-5-3-7-15(20)9-13)18-25-16(10-27-18)12-4-2-6-14(8-12)19(21,22)23/h2-10,17H,1H3,(H,24,26)
InChIKeyMAKVHFBAGWFZKN-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide 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 N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide (CID 46948433) is N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NC(c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is MAKVHFBAGWFZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2OS/c1-11(26)24-17(13-5-3-7-15(20)9-13)18-25-16(10-27-18)12-4-2-6-14(8-12)19(21,22)23/h2-10,17H,1H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46948433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).