1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

C10H15N5O2S2 — CID 71688176

IUPAC1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C)s2)c1C
InChIInChI=1S/C10H15N5O2S2/c1-5-15-7(3)9(6(2)13-15)19(16,17)14-10-12-11-8(4)18-10/h5H2,1-4H3,(H,12,14)
InChIKeyOOORNWTYLZPNDP-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.48
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 71688176) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID71688176
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(C)s2)c1C
InChIInChI=1S/C10H15N5O2S2/c1-5-15-7(3)9(6(2)13-15)19(16,17)14-10-12-11-8(4)18-10/h5H2,1-4H3,(H,12,14)
InChIKeyOOORNWTYLZPNDP-UHFFFAOYSA-N
XLogP1.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (CID 71688176) is 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2nnc(C)s2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is OOORNWTYLZPNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-5-15-7(3)9(6(2)13-15)19(16,17)14-10-12-11-8(4)18-10/h5H2,1-4H3,(H,12,14).
What are the key properties of 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71688176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).