1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide

C11H17N5O2S2 — CID 71688177

IUPAC1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-5-9-12-13-11(19-9)15-20(17,18)10-7(3)14-16(6-2)8(10)4/h5-6H2,1-4H3,(H,13,15)
InChIKeyGTDYWZDJDHZVDD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.73
Rot. Bonds5

About 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71688177) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71688177
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-5-9-12-13-11(19-9)15-20(17,18)10-7(3)14-16(6-2)8(10)4/h5-6H2,1-4H3,(H,13,15)
InChIKeyGTDYWZDJDHZVDD-UHFFFAOYSA-N
XLogP1.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide (CID 71688177) is 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide is CCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1.
What is the InChIKey of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GTDYWZDJDHZVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-5-9-12-13-11(19-9)15-20(17,18)10-7(3)14-16(6-2)8(10)4/h5-6H2,1-4H3,(H,13,15).
What are the key properties of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).