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

C10H8FN3OS2 — CID 894653

IUPAC3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCSc1nsc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3OS2/c1-16-10-13-9(17-14-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,14,15)
InChIKeyHGVDYPJJOQFXNW-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.65
Rot. Bonds3

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

3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 894653) has the molecular formula C10H8FN3OS2 and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID894653
Molecular FormulaC10H8FN3OS2
Molecular Weight269.33 g/mol
Exact Mass269.01
IUPAC Name3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCSc1nsc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3OS2/c1-16-10-13-9(17-14-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,14,15)
InChIKeyHGVDYPJJOQFXNW-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

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Related Compounds

3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3765876
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
CID 25476563
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-bromobenzamide
CID 2472346
3-fluoro-N-[3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 20941406
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide (CID 894653) is 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide is CSc1nsc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is HGVDYPJJOQFXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS2/c1-16-10-13-9(17-14-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-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 3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 894653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).