3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

C11H16N4O2S2 — CID 63241322

IUPAC3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H16N4O2S2/c1-7-6-18-10(13-7)4-5-12-19(16,17)11-8(2)14-15-9(11)3/h6,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyROIYGUPOJQNBKG-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.31
Rot. Bonds5

About 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 63241322) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID63241322
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1csc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1
InChIInChI=1S/C11H16N4O2S2/c1-7-6-18-10(13-7)4-5-12-19(16,17)11-8(2)14-15-9(11)3/h6,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyROIYGUPOJQNBKG-UHFFFAOYSA-N
XLogP1.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 63241322) is 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1csc(CCNS(=O)(=O)c2c(C)n[nH]c2C)n1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ROIYGUPOJQNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7-6-18-10(13-7)4-5-12-19(16,17)11-8(2)14-15-9(11)3/h6,12H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63241322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).