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

C10H9N3OS2 — CID 2761299

IUPACN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCSc1nc(NC(=O)c2ccccc2)ns1
InChIInChI=1S/C10H9N3OS2/c1-15-10-12-9(13-16-10)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKeyVERDFHOICHJZIA-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.51
Rot. Bonds3

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

N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide (PubChem CID 2761299) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide
PubChem CID2761299
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC NameN-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCSc1nc(NC(=O)c2ccccc2)ns1
InChIInChI=1S/C10H9N3OS2/c1-15-10-12-9(13-16-10)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14)
InChIKeyVERDFHOICHJZIA-UHFFFAOYSA-N
XLogP2.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide?
The IUPAC name of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide (CID 2761299) is N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide?
The canonical SMILES for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide is CSc1nc(NC(=O)c2ccccc2)ns1.
What is the InChIKey of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide?
The InChIKey is VERDFHOICHJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-15-10-12-9(13-16-10)11-8(14)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13,14).
What are the key properties of N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide?
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)benzamide is sourced from PubChem (CID 2761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).