N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C17H14FN3OS — CID 123397926

IUPACN-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(c1ccccc1)c1nnc(N(F)C(=O)c2ccccc2)s1
InChIInChI=1S/C17H14FN3OS/c1-12(13-8-4-2-5-9-13)15-19-20-17(23-15)21(18)16(22)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFXQPBPJOCCQXFF-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.22
Rot. Bonds4

About N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 123397926) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID123397926
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(c1ccccc1)c1nnc(N(F)C(=O)c2ccccc2)s1
InChIInChI=1S/C17H14FN3OS/c1-12(13-8-4-2-5-9-13)15-19-20-17(23-15)21(18)16(22)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFXQPBPJOCCQXFF-UHFFFAOYSA-N
XLogP4.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-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 N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 123397926) is N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is CC(c1ccccc1)c1nnc(N(F)C(=O)c2ccccc2)s1.
What is the InChIKey of N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FXQPBPJOCCQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-12(13-8-4-2-5-9-13)15-19-20-17(23-15)21(18)16(22)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 123397926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).