N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide

C6H7N5O2S2 — CID 102693429

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C6H7N5O2S2/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11)
InChIKeyPLCYPEHBFZZQOP-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.37
Rot. Bonds3

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693429) has the molecular formula C6H7N5O2S2 and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693429
Molecular FormulaC6H7N5O2S2
Molecular Weight245.29 g/mol
Exact Mass245.00
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C6H7N5O2S2/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11)
InChIKeyPLCYPEHBFZZQOP-UHFFFAOYSA-N
XLogP0.37
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 100631307
N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692319
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692323
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693012
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693083
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693084
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 102693086
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693087
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693212
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide
CID 102693425
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693523
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 105899186

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide (CID 102693429) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide is Cc1nsc(NS(=O)(=O)c2ccn[nH]2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is PLCYPEHBFZZQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S2/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 245.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).