N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide

C16H11F2N3O2S — CID 122149641

IUPACN-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide
SMILESO=C(Nc1nc(Cc2ccccc2)ns1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-7-10(8-12(18)14(11)22)15(23)20-16-19-13(21-24-16)6-9-4-2-1-3-5-9/h1-5,7-8,22H,6H2,(H,19,20,21,23)
InChIKeyNOLOSJKUWSYSID-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.37
Rot. Bonds4

About N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide

N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide (PubChem CID 122149641) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide
PubChem CID122149641
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide
SMILESO=C(Nc1nc(Cc2ccccc2)ns1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-7-10(8-12(18)14(11)22)15(23)20-16-19-13(21-24-16)6-9-4-2-1-3-5-9/h1-5,7-8,22H,6H2,(H,19,20,21,23)
InChIKeyNOLOSJKUWSYSID-UHFFFAOYSA-N
XLogP3.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521917
3,4,5-trifluoro-N-[3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 167825430
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
CID 167839111
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
3-fluoro-5-formyl-4-hydroxy-N-phenylbenzamide
CID 155143444
3-N-(3-benzyl-1,2,4-thiadiazol-5-yl)butane-2,3-diamine
CID 143676361
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-bromobenzamide
CID 2472346
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 100669326
4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 92699849

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide (CID 122149641) is N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide is O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(F)c(O)c(F)c1.
What is the InChIKey of N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide?
The InChIKey is NOLOSJKUWSYSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-11-7-10(8-12(18)14(11)22)15(23)20-16-19-13(21-24-16)6-9-4-2-1-3-5-9/h1-5,7-8,22H,6H2,(H,19,20,21,23).
What are the key properties of N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide?
N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide has a molecular weight of 347.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 122149641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).