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

C9H12N4O2S2 — CID 43236397

IUPAC3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-10-9(16-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeySUYQJQDVRZYOQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds3

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

3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 43236397) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID43236397
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-10-9(16-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeySUYQJQDVRZYOQN-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 75510351
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582968
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 20181748
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 35764650
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 35764666
1,3-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 42282261
1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 42282263
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 43236419
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 43237070
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole
CID 43237138
2-[3,5-Dimethyl-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43513574
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
CID 43547704

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide (CID 43236397) is 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is Cc1cnc(NS(=O)(=O)c2c(C)n[nH]c2C)s1.
What is the InChIKey of 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SUYQJQDVRZYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-4-10-9(16-5)13-17(14,15)8-6(2)11-12-7(8)3/h4H,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.59, 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-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43236397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).