N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H11F3N2OS — CID 84558434

IUPACN-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1scnc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)11-10(20-8-18-11)12(19)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,19)
InChIKeyULNHWFUOYRBTEV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.13
Rot. Bonds4

About N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84558434) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84558434
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1scnc1C(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)11-10(20-8-18-11)12(19)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,19)
InChIKeyULNHWFUOYRBTEV-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 122152494
2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90881118
benzyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 170548737
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154842826
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84558434) is N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCCc1ccccc1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ULNHWFUOYRBTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)11-10(20-8-18-11)12(19)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,19).
What are the key properties of N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84558434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).