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

C8H10N4O2S2 — CID 49460068

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1nccs1)c1cn[nH]c1
InChIInChI=1S/C8H10N4O2S2/c13-16(14,7-5-10-11-6-7)12-2-1-8-9-3-4-15-8/h3-6,12H,1-2H2,(H,10,11)
InChIKeyFQJFGUWKPWBVAM-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.39
Rot. Bonds5

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

N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 49460068) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID49460068
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1nccs1)c1cn[nH]c1
InChIInChI=1S/C8H10N4O2S2/c13-16(14,7-5-10-11-6-7)12-2-1-8-9-3-4-15-8/h3-6,12H,1-2H2,(H,10,11)
InChIKeyFQJFGUWKPWBVAM-UHFFFAOYSA-N
XLogP0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47371845
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61026875
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 49460186
4-[2-(1H-pyrazol-4-ylsulfonylamino)ethyl]benzoic acid
CID 60917023
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 49460068) is N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCc1nccs1)c1cn[nH]c1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FQJFGUWKPWBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c13-16(14,7-5-10-11-6-7)12-2-1-8-9-3-4-15-8/h3-6,12H,1-2H2,(H,10,11).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 49460068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).