cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide

C25H31N9O2S — CID 144953794

IUPACcyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide
SMILESC1CCCC1.Cc1ccc(NC(=O)Cc2ccccn2)nn1.Cn1ccc(CC(=O)Nc2nncs2)n1
InChIInChI=1S/C12H12N4O.C8H9N5OS.C5H10/c1-9-5-6-11(16-15-9)14-12(17)8-10-4-2-3-7-13-10;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8;1-2-4-5-3-1/h2-7H,8H2,1H3,(H,14,16,17);2-3,5H,4H2,1H3,(H,10,11,14);1-5H2
InChIKeyHZPPUIFHFAULKK-UHFFFAOYSA-N
MW521.65 g/mol
LogP3.76
Rot. Bonds6

About cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide

cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide (PubChem CID 144953794) has the molecular formula C25H31N9O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Namecyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide
PubChem CID144953794
Molecular FormulaC25H31N9O2S
Molecular Weight521.65 g/mol
Exact Mass521.23
IUPAC Namecyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide
SMILESC1CCCC1.Cc1ccc(NC(=O)Cc2ccccn2)nn1.Cn1ccc(CC(=O)Nc2nncs2)n1
InChIInChI=1S/C12H12N4O.C8H9N5OS.C5H10/c1-9-5-6-11(16-15-9)14-12(17)8-10-4-2-3-7-13-10;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8;1-2-4-5-3-1/h2-7H,8H2,1H3,(H,14,16,17);2-3,5H,4H2,1H3,(H,10,11,14);1-5H2
InChIKeyHZPPUIFHFAULKK-UHFFFAOYSA-N
XLogP3.76
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.65
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide (CID 144953794) is cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide is C1CCCC1.Cc1ccc(NC(=O)Cc2ccccn2)nn1.Cn1ccc(CC(=O)Nc2nncs2)n1.
What is the InChIKey of cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide?
The InChIKey is HZPPUIFHFAULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O.C8H9N5OS.C5H10/c1-9-5-6-11(16-15-9)14-12(17)8-10-4-2-3-7-13-10;1-13-3-2-6(12-13)4-7(14)10-8-11-9-5-15-8;1-2-4-5-3-1/h2-7H,8H2,1H3,(H,14,16,17);2-3,5H,4H2,1H3,(H,10,11,14);1-5H2.
What are the key properties of cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide?
cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide has a molecular weight of 521.65 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide;N-(6-methylpyridazin-3-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 144953794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).