2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C13H10F3N3O2S — CID 166872983

IUPAC2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C13H10F3N3O2S/c1-7(20)18-9-5-3-2-4-8(9)11(21)19-12-17-6-10(22-12)13(14,15)16/h2-6H,1H3,(H,18,20)(H,17,19,21)
InChIKeyNHJOMHRNFRMWBP-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.37
Rot. Bonds3

About 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 166872983) has the molecular formula C13H10F3N3O2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID166872983
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
Exact Mass329.04
IUPAC Name2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C13H10F3N3O2S/c1-7(20)18-9-5-3-2-4-8(9)11(21)19-12-17-6-10(22-12)13(14,15)16/h2-6H,1H3,(H,18,20)(H,17,19,21)
InChIKeyNHJOMHRNFRMWBP-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]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 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 166872983) is 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccccc1C(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NHJOMHRNFRMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2S/c1-7(20)18-9-5-3-2-4-8(9)11(21)19-12-17-6-10(22-12)13(14,15)16/h2-6H,1H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 329.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 166872983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).