N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H21N5O2S — CID 51044347

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H21N5O2S/c26-17(21-20-23-22-19(28-20)15-9-5-2-6-10-15)13-25-18(27)12-11-16(24-25)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,21,23,26)
InChIKeyMVULYBIZGBESOF-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.45
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 51044347) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID51044347
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H21N5O2S/c26-17(21-20-23-22-19(28-20)15-9-5-2-6-10-15)13-25-18(27)12-11-16(24-25)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,21,23,26)
InChIKeyMVULYBIZGBESOF-UHFFFAOYSA-N
XLogP3.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 91938931
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
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2-(2-bromo-4-phenylphenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178697
2-benzylsulfonyl-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 647806
2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 51044347) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is MVULYBIZGBESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-17(21-20-23-22-19(28-20)15-9-5-2-6-10-15)13-25-18(27)12-11-16(24-25)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,21,23,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 395.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 51044347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).