3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H14N6O2S2 — CID 110873586

IUPAC3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cn2nc(CNS(=O)(=O)c3c(C)n[nH]c3C)sc2n1
InChIInChI=1S/C11H14N6O2S2/c1-6-5-17-11(13-6)20-9(16-17)4-12-21(18,19)10-7(2)14-15-8(10)3/h5,12H,4H2,1-3H3,(H,14,15)
InChIKeyCNBXAFKSVJMCIJ-UHFFFAOYSA-N
MW326.41 g/mol
LogP0.92
Rot. Bonds4

About 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110873586) has the molecular formula C11H14N6O2S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID110873586
Molecular FormulaC11H14N6O2S2
Molecular Weight326.41 g/mol
Exact Mass326.06
IUPAC Name3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cn2nc(CNS(=O)(=O)c3c(C)n[nH]c3C)sc2n1
InChIInChI=1S/C11H14N6O2S2/c1-6-5-17-11(13-6)20-9(16-17)4-12-21(18,19)10-7(2)14-15-8(10)3/h5,12H,4H2,1-3H3,(H,14,15)
InChIKeyCNBXAFKSVJMCIJ-UHFFFAOYSA-N
XLogP0.92
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110401475
3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 82872630
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110421238
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 110873586) is 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1cn2nc(CNS(=O)(=O)c3c(C)n[nH]c3C)sc2n1.
What is the InChIKey of 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CNBXAFKSVJMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S2/c1-6-5-17-11(13-6)20-9(16-17)4-12-21(18,19)10-7(2)14-15-8(10)3/h5,12H,4H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 326.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110873586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).