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

C14H13F3N2OS — CID 90881118

IUPAC2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-19-12(14(15,16)17)11(21-9)13(20)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyVQNZQBMZYTUUOJ-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.44
Rot. Bonds4

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

2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 90881118) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID90881118
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-19-12(14(15,16)17)11(21-9)13(20)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyVQNZQBMZYTUUOJ-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78775254
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
3-[2-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]ethyl]benzoic acid
CID 120535501
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
3-methyl-N-(2-phenylethyl)imidazo[5,1-b][1,3]thiazole-2-carboxamide
CID 166340459
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
N-[2-(3,3-dimethylbutyl)thiophen-3-yl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 68513880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 90881118) is 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)NCCc2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQNZQBMZYTUUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-9-19-12(14(15,16)17)11(21-9)13(20)18-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90881118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).