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

C9H12N4O2S2 — CID 54955616

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C
InChIInChI=1S/C9H12N4O2S2/c1-5-7(3)16-9(11-5)13-17(14,15)8-4-10-12-6(8)2/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyCOZPNOFLDDMMBV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54955616) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54955616
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C
InChIInChI=1S/C9H12N4O2S2/c1-5-7(3)16-9(11-5)13-17(14,15)8-4-10-12-6(8)2/h4H,1-3H3,(H,10,12)(H,11,13)
InChIKeyCOZPNOFLDDMMBV-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

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
1,3-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-methyl-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 42282523
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282525
1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 42282810
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 43236397
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 43237070
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
CID 45785111
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47349973

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54955616) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is COZPNOFLDDMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-7(3)16-9(11-5)13-17(14,15)8-4-10-12-6(8)2/h4H,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-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 N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54955616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).