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

C10H11N3O2S2 — CID 855323

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C10H11N3O2S2/c1-17(14,15)13-10-12-11-9(16-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyYYCJAVKLZPRSRN-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.50
Rot. Bonds4

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 855323) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID855323
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C10H11N3O2S2/c1-17(14,15)13-10-12-11-9(16-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyYYCJAVKLZPRSRN-UHFFFAOYSA-N
XLogP1.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 855323) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is YYCJAVKLZPRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-17(14,15)13-10-12-11-9(16-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).