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

C17H15FN4OS — CID 133319767

IUPAC3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
SMILESCc1nsc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)n1
InChIInChI=1S/C17H15FN4OS/c1-11-20-17(24-22-11)19-10-12-4-2-7-15(8-12)21-16(23)13-5-3-6-14(18)9-13/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyKHDKTWCJLWNHCA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds5

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

3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide (PubChem CID 133319767) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
PubChem CID133319767
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
SMILESCc1nsc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)n1
InChIInChI=1S/C17H15FN4OS/c1-11-20-17(24-22-11)19-10-12-4-2-7-15(8-12)21-16(23)13-5-3-6-14(18)9-13/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyKHDKTWCJLWNHCA-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55894701
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
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N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957
3-fluoro-N-[3-[[(5-fluoroquinazolin-4-yl)amino]methyl]phenyl]benzamide
CID 78901220
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-[3-[[2-(difluoromethylsulfonyl)anilino]methyl]phenyl]-3-fluorobenzamide
CID 133297960
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
3-fluoro-N-[3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55893293

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide (CID 133319767) is 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide is Cc1nsc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)n1.
What is the InChIKey of 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide?
The InChIKey is KHDKTWCJLWNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11-20-17(24-22-11)19-10-12-4-2-7-15(8-12)21-16(23)13-5-3-6-14(18)9-13/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide?
3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 133319767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).