N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C21H19N5OS2 — CID 30033030

IUPACN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(C)c(-c2cc(NC(=O)CSc3nncs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5OS2/c1-14-8-9-15(2)17(10-14)18-11-19(26(25-18)16-6-4-3-5-7-16)23-20(27)12-28-21-24-22-13-29-21/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyFLESERKQWKIWAC-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.74
Rot. Bonds6

About N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 30033030) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID30033030
Molecular FormulaC21H19N5OS2
Molecular Weight421.55 g/mol
Exact Mass421.10
IUPAC NameN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(C)c(-c2cc(NC(=O)CSc3nncs3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5OS2/c1-14-8-9-15(2)17(10-14)18-11-19(26(25-18)16-6-4-3-5-7-16)23-20(27)12-28-21-24-22-13-29-21/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyFLESERKQWKIWAC-UHFFFAOYSA-N
XLogP4.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 2530718
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30194136
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43032827
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 42976671
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351550
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
CID 7890368
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-(2,5-dimethylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9034224
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 24600072

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 30033030) is N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccc(C)c(-c2cc(NC(=O)CSc3nncs3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is FLESERKQWKIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS2/c1-14-8-9-15(2)17(10-14)18-11-19(26(25-18)16-6-4-3-5-7-16)23-20(27)12-28-21-24-22-13-29-21/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 421.55 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 30033030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).