2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H26N6OS2 — CID 24519559

IUPAC2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C20H26N6OS2/c1-6-14-9-8-10-15(7-2)18(14)22-19-23-24-20(29-19)28-11-16(27)21-17-12(3)25-26(5)13(17)4/h8-10H,6-7,11H2,1-5H3,(H,21,27)(H,22,23)
InChIKeyZARSXTJJUFWFIY-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.49
Rot. Bonds8

About 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 24519559) has the molecular formula C20H26N6OS2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID24519559
Molecular FormulaC20H26N6OS2
Molecular Weight430.60 g/mol
Exact Mass430.16
IUPAC Name2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C20H26N6OS2/c1-6-14-9-8-10-15(7-2)18(14)22-19-23-24-20(29-19)28-11-16(27)21-17-12(3)25-26(5)13(17)4/h8-10H,6-7,11H2,1-5H3,(H,21,27)(H,22,23)
InChIKeyZARSXTJJUFWFIY-UHFFFAOYSA-N
XLogP4.49
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-diethylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4798975
N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3220484
2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8603189
N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24519541
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27062722
N-(2,6-dimethylphenyl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7891285
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 41458662
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46639781
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2175403
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 55443073
N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 3220481

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 24519559) is 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCc1cccc(CC)c1Nc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1.
What is the InChIKey of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZARSXTJJUFWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS2/c1-6-14-9-8-10-15(7-2)18(14)22-19-23-24-20(29-19)28-11-16(27)21-17-12(3)25-26(5)13(17)4/h8-10H,6-7,11H2,1-5H3,(H,21,27)(H,22,23).
What are the key properties of 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 430.60 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24519559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).