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

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Related Compounds

1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
methyl 4-bromo-5-[(1-ethylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 71847215
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 131938947
5-tert-butyl-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75483596
1-ethyl-N-(3-ethylpent-1-yn-3-yl)pyrazole-4-sulfonamide
CID 19684163
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263

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).