5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide

C8H12N6O2S2 — CID 113383213

IUPAC5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2nnc(N)s2)cn1
InChIInChI=1S/C8H12N6O2S2/c1-5(2)14-4-6(3-10-14)13-18(15,16)8-12-11-7(9)17-8/h3-5,13H,1-2H3,(H2,9,11)
InChIKeyBHELMBPVKULADV-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.70
Rot. Bonds4

About 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383213) has the molecular formula C8H12N6O2S2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383213
Molecular FormulaC8H12N6O2S2
Molecular Weight288.36 g/mol
Exact Mass288.05
IUPAC Name5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2nnc(N)s2)cn1
InChIInChI=1S/C8H12N6O2S2/c1-5(2)14-4-6(3-10-14)13-18(15,16)8-12-11-7(9)17-8/h3-5,13H,1-2H3,(H2,9,11)
InChIKeyBHELMBPVKULADV-UHFFFAOYSA-N
XLogP0.70
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-1-methyl-N-(1-methylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 54922425
3-amino-1-ethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 54922426
3-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-sulfonamide
CID 60808801
3-amino-1-ethyl-N-(1-ethylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 60808955
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60810435
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 62902099
3-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 62904579
3-amino-1-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 62904758
5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 102806216
5-amino-N-(2-propan-2-ylpyrazol-3-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171183
5-amino-N-(1-methylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 104171326

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide (CID 113383213) is 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide is CC(C)n1cc(NS(=O)(=O)c2nnc(N)s2)cn1.
What is the InChIKey of 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is BHELMBPVKULADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S2/c1-5(2)14-4-6(3-10-14)13-18(15,16)8-12-11-7(9)17-8/h3-5,13H,1-2H3,(H2,9,11).
What are the key properties of 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 288.36 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).