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

C13H11F3N2OS — CID 155969654

IUPAC2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cscn1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)6-17-12(19)5-11-7-20-8-18-11/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyDXYBEOAUVYAKKF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.02
Rot. Bonds4

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

2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 155969654) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID155969654
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cscn1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)6-17-12(19)5-11-7-20-8-18-11/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyDXYBEOAUVYAKKF-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
2-(3-fluoro-4-sulfanylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146211391
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 155969654) is 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1cscn1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DXYBEOAUVYAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-9(2-4-10)6-17-12(19)5-11-7-20-8-18-11/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 155969654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).