2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide

C26H26N6O2S — CID 74982561

IUPAC2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-25-31-32-26(35-25)28-24(34)18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34)
InChIKeyZIPXNTFGVYDBAA-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.26
Rot. Bonds11

About 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide

2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide (PubChem CID 74982561) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
PubChem CID74982561
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-25-31-32-26(35-25)28-24(34)18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34)
InChIKeyZIPXNTFGVYDBAA-UHFFFAOYSA-N
XLogP4.26
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[6-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]pyridazin-3-yl]acetamide
CID 89596759
N-[6-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-1-yl]pyridazin-3-yl]-2-phenylacetamide
CID 155520395
2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide
CID 162644630
2-phenyl-N-[6-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]pyridazin-3-yl]acetamide
CID 162650965
(14E)-41-thia-2,10,19,27,29,30,37,38-octazapentacyclo[34.2.2.15,9.120,24.128,31]tritetraconta-1(38),5(43),6,8,14,20,22,24(42),28,30,36,39-dodecaene-3,11,18,26-tetrone
CID 164619878
11-(6-imino-3-phenylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
CID 24955953
3-hydroxy-2-phenyl-N-[5-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 74982579
2-hydroxy-2-phenyl-N-[5-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982580
N-[6-[4-[5-[[2-(3-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982596
N-[6-[4-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982600
N-(5-(4-(6-aminopyridazin-3-yl)butyl)-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 74982604
(2S)-2-hydroxy-2-phenyl-N-[5-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982606

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide (CID 74982561) is 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1.
What is the InChIKey of 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The InChIKey is ZIPXNTFGVYDBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-25-31-32-26(35-25)28-24(34)18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34).
What are the key properties of 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide has a molecular weight of 486.60 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 74982561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).