2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C16H15F3N2O2S — CID 173499754

IUPAC2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)C(C)C)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-8(2)14(23)21-15-20-13(16(17,18)19)12(24-15)11(22)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,20,21,23)
InChIKeyZWMIYNHYVSBWDN-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 173499754) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID173499754
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)C(C)C)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-8(2)14(23)21-15-20-13(16(17,18)19)12(24-15)11(22)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,20,21,23)
InChIKeyZWMIYNHYVSBWDN-UHFFFAOYSA-N
XLogP4.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-(4-fluorobenzoyl)-4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87490517
4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 59158590
4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970348
ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559958
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
ethyl 2-(3-methylbutanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84561176
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84562338
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 14700264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 173499754) is 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(C(=O)c2sc(NC(=O)C(C)C)nc2C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZWMIYNHYVSBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-8(2)14(23)21-15-20-13(16(17,18)19)12(24-15)11(22)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,20,21,23).
What are the key properties of 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 356.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 173499754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).