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

C11H16N4O2S2 — CID 110716098

IUPACN,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1nccs1
InChIInChI=1S/C11H16N4O2S2/c1-8-11(9(2)14-13-8)19(16,17)15(3)6-4-10-12-5-7-18-10/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyJRJIQACVJCPDBA-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.35
Rot. Bonds5

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

N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110716098) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110716098
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC NameN,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1nccs1
InChIInChI=1S/C11H16N4O2S2/c1-8-11(9(2)14-13-8)19(16,17)15(3)6-4-10-12-5-7-18-10/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyJRJIQACVJCPDBA-UHFFFAOYSA-N
XLogP1.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
N-(dimethylsulfamoyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 110716052
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
N-(5-bromopentyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 107206330
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960
5-ethyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110716079
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716108
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716109

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110716098) is N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCc1nccs1.
What is the InChIKey of N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is JRJIQACVJCPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-8-11(9(2)14-13-8)19(16,17)15(3)6-4-10-12-5-7-18-10/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110716098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).