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

C8H10N4O2S2 — CID 43237070

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H10N4O2S2/c1-5-7(6(2)11-10-5)16(13,14)12-8-9-3-4-15-8/h3-4H,1-2H3,(H,9,12)(H,10,11)
InChIKeyAWZWWRSEAUWXLE-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.28
Rot. Bonds3

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

3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 43237070) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID43237070
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H10N4O2S2/c1-5-7(6(2)11-10-5)16(13,14)12-8-9-3-4-15-8/h3-4H,1-2H3,(H,9,12)(H,10,11)
InChIKeyAWZWWRSEAUWXLE-UHFFFAOYSA-N
XLogP1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.28
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-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 43237070) is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AWZWWRSEAUWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-5-7(6(2)11-10-5)16(13,14)12-8-9-3-4-15-8/h3-4H,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43237070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).