2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

C9H7N5O2S2 — CID 106596248

IUPAC2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cccnc2C#N)s1
InChIInChI=1S/C9H7N5O2S2/c1-6-12-13-9(17-6)14-18(15,16)8-3-2-4-11-7(8)5-10/h2-4H,1H3,(H,13,14)
InChIKeyBKZVTQNFPGZKSZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.91
Rot. Bonds3

About 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 106596248) has the molecular formula C9H7N5O2S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID106596248
Molecular FormulaC9H7N5O2S2
Molecular Weight281.32 g/mol
Exact Mass281.00
IUPAC Name2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cccnc2C#N)s1
InChIInChI=1S/C9H7N5O2S2/c1-6-12-13-9(17-6)14-18(15,16)8-3-2-4-11-7(8)5-10/h2-4H,1H3,(H,13,14)
InChIKeyBKZVTQNFPGZKSZ-UHFFFAOYSA-N
XLogP0.91
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-3-sulfonamide
CID 106595764
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
CID 106598860
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545698
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 106596248) is 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is Cc1nnc(NS(=O)(=O)c2cccnc2C#N)s1.
What is the InChIKey of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is BKZVTQNFPGZKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2S2/c1-6-12-13-9(17-6)14-18(15,16)8-3-2-4-11-7(8)5-10/h2-4H,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 281.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).