N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide

C11H17N5O2S2 — CID 71974660

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cn1
InChIInChI=1S/C11H17N5O2S2/c1-5-16-7-8(6-12-16)20(17,18)15-10-14-13-9(19-10)11(2,3)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyNJCBELIILXAWRC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.85
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 71974660) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID71974660
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cn1
InChIInChI=1S/C11H17N5O2S2/c1-5-16-7-8(6-12-16)20(17,18)15-10-14-13-9(19-10)11(2,3)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyNJCBELIILXAWRC-UHFFFAOYSA-N
XLogP1.85
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide (CID 71974660) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cn1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is NJCBELIILXAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-5-16-7-8(6-12-16)20(17,18)15-10-14-13-9(19-10)11(2,3)4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71974660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).