N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C21H19N5OS3 — CID 30194136

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C21H19N5OS3/c1-2-28-20-23-24-21(30-20)29-14-19(27)22-18-13-17(15-9-5-3-6-10-15)25-26(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,22,27)
InChIKeyQHRDQRMRQMSMKD-UHFFFAOYSA-N
MW453.62 g/mol
LogP5.23
Rot. Bonds8

About N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 30194136) has the molecular formula C21H19N5OS3 and a molecular weight of 453.62 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID30194136
Molecular FormulaC21H19N5OS3
Molecular Weight453.62 g/mol
Exact Mass453.08
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C21H19N5OS3/c1-2-28-20-23-24-21(30-20)29-14-19(27)22-18-13-17(15-9-5-3-6-10-15)25-26(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,22,27)
InChIKeyQHRDQRMRQMSMKD-UHFFFAOYSA-N
XLogP5.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.62
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
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2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
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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-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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CID 134800103
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 2530718
N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 30033030
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51288032
2-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 30194136) is N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCSc1nnc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)s1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is QHRDQRMRQMSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS3/c1-2-28-20-23-24-21(30-20)29-14-19(27)22-18-13-17(15-9-5-3-6-10-15)25-26(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,22,27).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 453.62 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 30194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).