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

C17H20N4O2S2 — CID 110317368

IUPAC3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3c(C)n[nH]c3C)cs2)cc1
InChIInChI=1S/C17H20N4O2S2/c1-11-4-6-14(7-5-11)17-19-15(10-24-17)8-9-18-25(22,23)16-12(2)20-21-13(16)3/h4-7,10,18H,8-9H2,1-3H3,(H,20,21)
InChIKeyMIIJPAGFNKXJBY-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.98
Rot. Bonds6

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

3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110317368) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110317368
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(-c2nc(CCNS(=O)(=O)c3c(C)n[nH]c3C)cs2)cc1
InChIInChI=1S/C17H20N4O2S2/c1-11-4-6-14(7-5-11)17-19-15(10-24-17)8-9-18-25(22,23)16-12(2)20-21-13(16)3/h4-7,10,18H,8-9H2,1-3H3,(H,20,21)
InChIKeyMIIJPAGFNKXJBY-UHFFFAOYSA-N
XLogP2.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 7518601
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
CID 7518666
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide (CID 110317368) is 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide is Cc1ccc(-c2nc(CCNS(=O)(=O)c3c(C)n[nH]c3C)cs2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is MIIJPAGFNKXJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-11-4-6-14(7-5-11)17-19-15(10-24-17)8-9-18-25(22,23)16-12(2)20-21-13(16)3/h4-7,10,18H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110317368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).