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

C7H10N6O2S2 — CID 102806216

IUPAC5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H10N6O2S2/c1-4-5(3-13(2)11-4)12-17(14,15)7-10-9-6(8)16-7/h3,12H,1-2H3,(H2,8,9)
InChIKeyHXRVVLVYCSLWDH-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.04
Rot. Bonds3

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

5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 102806216) has the molecular formula C7H10N6O2S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID102806216
Molecular FormulaC7H10N6O2S2
Molecular Weight274.33 g/mol
Exact Mass274.03
IUPAC Name5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H10N6O2S2/c1-4-5(3-13(2)11-4)12-17(14,15)7-10-9-6(8)16-7/h3,12H,1-2H3,(H2,8,9)
InChIKeyHXRVVLVYCSLWDH-UHFFFAOYSA-N
XLogP-0.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide (CID 102806216) is 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is HXRVVLVYCSLWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S2/c1-4-5(3-13(2)11-4)12-17(14,15)7-10-9-6(8)16-7/h3,12H,1-2H3,(H2,8,9).
What are the key properties of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 274.33 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 102806216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).