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

C25H25N7O2S — CID 74982611

IUPAC2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)nn1
InChIInChI=1S/C25H25N7O2S/c33-22(15-18-7-2-1-3-8-18)27-21-13-12-20(29-30-21)10-4-5-11-24-31-32-25(35-24)28-23(34)16-19-9-6-14-26-17-19/h1-3,6-9,12-14,17H,4-5,10-11,15-16H2,(H,27,30,33)(H,28,32,34)
InChIKeyGFLTZCICSVNBTH-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.65
Rot. Bonds11

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

2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide (PubChem CID 74982611) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
PubChem CID74982611
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC Name2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)nn1
InChIInChI=1S/C25H25N7O2S/c33-22(15-18-7-2-1-3-8-18)27-21-13-12-20(29-30-21)10-4-5-11-24-31-32-25(35-24)28-23(34)16-19-9-6-14-26-17-19/h1-3,6-9,12-14,17H,4-5,10-11,15-16H2,(H,27,30,33)(H,28,32,34)
InChIKeyGFLTZCICSVNBTH-UHFFFAOYSA-N
XLogP3.65
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207416
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridazin-3-yl)benzamide
CID 50899554
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
CID 74982561
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
2-pyridin-2-yl-N-[5-[[(1S,2S)-2-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopropyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 76284405
2-pyridin-2-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163199
2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163202
2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163204
2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163216

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide (CID 74982611) is 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)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-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)nn1.
What is the InChIKey of 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
The InChIKey is GFLTZCICSVNBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c33-22(15-18-7-2-1-3-8-18)27-21-13-12-20(29-30-21)10-4-5-11-24-31-32-25(35-24)28-23(34)16-19-9-6-14-26-17-19/h1-3,6-9,12-14,17H,4-5,10-11,15-16H2,(H,27,30,33)(H,28,32,34).
What are the key properties of 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide?
2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide has a molecular weight of 487.59 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 74982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).