2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole

C18H14N4S2 — CID 17403156

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CSc2nncs2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-15(12-23-18-20-19-13-24-18)11-22(21-17)16-9-5-2-6-10-16/h1-11,13H,12H2
InChIKeyZFZJFFAJEHMQFE-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.68
Rot. Bonds5

About 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole

2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 17403156) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID17403156
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CSc2nncs2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-15(12-23-18-20-19-13-24-18)11-22(21-17)16-9-5-2-6-10-16/h1-11,13H,12H2
InChIKeyZFZJFFAJEHMQFE-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-mercaptothiazol-4(5H)-one
CID 1526878
1,3-Diphenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5341356
CID 2901146
CID 2901146
1,3-Diphenyl-1H-pyrazole
CID 613284
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16188349
({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}sulfanyl)methanimidamide hydrochloride
CID 2900722
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl imidothiocarbamate hydrochloride
CID 2900723
2-[(1,3-Diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135519832
N-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}guanidine
CID 16239163
1,3,4-Triphenyl-1H-pyrazole
CID 555882
(5Z)-5-[(1,3-Diphenyl-1H-pyrazol-4-YL)methylene]-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 5895123

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 17403156) is 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is c1ccc(-c2nn(-c3ccccc3)cc2CSc2nncs2)cc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is ZFZJFFAJEHMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-15(12-23-18-20-19-13-24-18)11-22(21-17)16-9-5-2-6-10-16/h1-11,13H,12H2.
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 350.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 17403156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).