N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide

C18H12F2N2O2S — CID 2056025

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1
InChIInChI=1S/C18H12F2N2O2S/c1-10(23)16-15(11-6-3-2-4-7-11)21-18(25-16)22-17(24)14-12(19)8-5-9-13(14)20/h2-9H,1H3,(H,21,22,24)
InChIKeyCEDUMYBBSNDONK-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.54
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide (PubChem CID 2056025) has the molecular formula C18H12F2N2O2S and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide
PubChem CID2056025
Molecular FormulaC18H12F2N2O2S
Molecular Weight358.37 g/mol
Exact Mass358.06
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1
InChIInChI=1S/C18H12F2N2O2S/c1-10(23)16-15(11-6-3-2-4-7-11)21-18(25-16)22-17(24)14-12(19)8-5-9-13(14)20/h2-9H,1H3,(H,21,22,24)
InChIKeyCEDUMYBBSNDONK-UHFFFAOYSA-N
XLogP4.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide 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-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide (CID 2056025) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide is CC(=O)c1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide?
The InChIKey is CEDUMYBBSNDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2S/c1-10(23)16-15(11-6-3-2-4-7-11)21-18(25-16)22-17(24)14-12(19)8-5-9-13(14)20/h2-9H,1H3,(H,21,22,24).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide has a molecular weight of 358.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 2056025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).