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

C14H13F3N2OS — CID 78863556

IUPAC2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)c1ccccc1
InChIInChI=1S/C14H13F3N2OS/c1-13(2,9-6-4-3-5-7-9)11(20)19-12-18-10(8-21-12)14(15,16)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeySVUKKBWFRHDEFL-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.08
Rot. Bonds3

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

2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78863556) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78863556
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)c1ccccc1
InChIInChI=1S/C14H13F3N2OS/c1-13(2,9-6-4-3-5-7-9)11(20)19-12-18-10(8-21-12)14(15,16)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeySVUKKBWFRHDEFL-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 157281303
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 47099211
2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86871832
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074704
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671
1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 11174547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78863556) is 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SVUKKBWFRHDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-13(2,9-6-4-3-5-7-9)11(20)19-12-18-10(8-21-12)14(15,16)17/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 314.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78863556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).