N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H16F3N3O2S — CID 51121198

IUPACN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2scnc2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2S/c1-3-22(15(24)16(17,18)19)8-11-5-4-6-12(7-11)21-14(23)13-10(2)20-9-25-13/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyBGYILFQGDMSDQR-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.61
Rot. Bonds5

About N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51121198) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51121198
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2scnc2C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H16F3N3O2S/c1-3-22(15(24)16(17,18)19)8-11-5-4-6-12(7-11)21-14(23)13-10(2)20-9-25-13/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyBGYILFQGDMSDQR-UHFFFAOYSA-N
XLogP3.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-5-nitrothiophene-3-carboxamide
CID 47047150
5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890270
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
N-ethyl-2,2,2-trifluoro-N-[[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]methyl]acetamide
CID 55674010
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55671766
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51121198) is N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(Cc1cccc(NC(=O)c2scnc2C)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BGYILFQGDMSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-3-22(15(24)16(17,18)19)8-11-5-4-6-12(7-11)21-14(23)13-10(2)20-9-25-13/h4-7,9H,3,8H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51121198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).