N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide

C12H9F3N2OS — CID 56777924

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2OS/c1-17-6-7-19-11(17)16-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-7H,1H3/b16-11-
InChIKeyHGQHZPSIJJVSTP-WJDWOHSUSA-N
MW286.28 g/mol
LogP2.85
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide

N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide (PubChem CID 56777924) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
PubChem CID56777924
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N2OS/c1-17-6-7-19-11(17)16-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-7H,1H3/b16-11-
InChIKeyHGQHZPSIJJVSTP-WJDWOHSUSA-N
XLogP2.85
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide (CID 56777924) is N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide is Cn1ccs/c1=N\C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide?
The InChIKey is HGQHZPSIJJVSTP-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-17-6-7-19-11(17)16-10(18)8-4-2-3-5-9(8)12(13,14)15/h2-7H,1H3/b16-11-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide has a molecular weight of 286.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 56777924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).