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

C19H15F3N2OS — CID 46943151

IUPACN-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C19H15F3N2OS/c1-12(25)23-17(13-6-3-2-4-7-13)18-24-16(11-26-18)14-8-5-9-15(10-14)19(20,21)22/h2-11,17H,1H3,(H,23,25)
InChIKeyDTBCEBNJQKJOGF-UHFFFAOYSA-N
MW376.40 g/mol
LogP5.05
Rot. Bonds4

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

N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46943151) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46943151
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC NameN-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C19H15F3N2OS/c1-12(25)23-17(13-6-3-2-4-7-13)18-24-16(11-26-18)14-8-5-9-15(10-14)19(20,21)22/h2-11,17H,1H3,(H,23,25)
InChIKeyDTBCEBNJQKJOGF-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide (CID 46943151) is N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NC(c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is DTBCEBNJQKJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c1-12(25)23-17(13-6-3-2-4-7-13)18-24-16(11-26-18)14-8-5-9-15(10-14)19(20,21)22/h2-11,17H,1H3,(H,23,25).
What are the key properties of N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide?
N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 376.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46943151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).