4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C10H8FN3OS2 — CID 4639958

IUPAC4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H8FN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,13,15)
InChIKeyUKRFGWDTOWJAEG-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.65
Rot. Bonds3

About 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4639958) has the molecular formula C10H8FN3OS2 and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4639958
Molecular FormulaC10H8FN3OS2
Molecular Weight269.33 g/mol
Exact Mass269.01
IUPAC Name4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H8FN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,13,15)
InChIKeyUKRFGWDTOWJAEG-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
4-[dimethylsulfamoyl(methyl)amino]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100707929
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100770222
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
N-[5-[(2,4-difluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 42805533
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
4-fluoro-N-[5-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22580278
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
3,5-diacetamido-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 2542260
4-(dimethylsulfamoyl)-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4618563

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 4639958) is 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CSc1nnc(NC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UKRFGWDTOWJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,13,15).
What are the key properties of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 269.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4639958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).