2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone

C13H11F3N2OS — CID 102756784

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1csc(N)n1
InChIInChI=1S/C13H11F3N2OS/c1-7-4-8(13(14,15)16)2-3-10(7)11(19)5-9-6-20-12(17)18-9/h2-4,6H,5H2,1H3,(H2,17,18)
InChIKeyOGPGQTQNSJZNMX-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.48
Rot. Bonds3

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

2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 102756784) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID102756784
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)Cc1csc(N)n1
InChIInChI=1S/C13H11F3N2OS/c1-7-4-8(13(14,15)16)2-3-10(7)11(19)5-9-6-20-12(17)18-9/h2-4,6H,5H2,1H3,(H2,17,18)
InChIKeyOGPGQTQNSJZNMX-UHFFFAOYSA-N
XLogP3.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
3-amino-4-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102756961
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 116575667
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (CID 102756784) is 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone is Cc1cc(C(F)(F)F)ccc1C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is OGPGQTQNSJZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-7-4-8(13(14,15)16)2-3-10(7)11(19)5-9-6-20-12(17)18-9/h2-4,6H,5H2,1H3,(H2,17,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 300.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 102756784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).