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

C24H22N6O2S2 — CID 162644630

IUPAC2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C24H22N6O2S2/c31-21(15-17-7-3-1-4-8-17)25-20-12-11-19(27-28-20)13-14-33-24-30-29-23(34-24)26-22(32)16-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,28,31)(H,26,29,32)
InChIKeyUKRFFBVHKNCIJY-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.03
Rot. Bonds10

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

2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide (PubChem CID 162644630) has the molecular formula C24H22N6O2S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide
PubChem CID162644630
Molecular FormulaC24H22N6O2S2
Molecular Weight490.61 g/mol
Exact Mass490.12
IUPAC Name2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C24H22N6O2S2/c31-21(15-17-7-3-1-4-8-17)25-20-12-11-19(27-28-20)13-14-33-24-30-29-23(34-24)26-22(32)16-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,28,31)(H,26,29,32)
InChIKeyUKRFFBVHKNCIJY-UHFFFAOYSA-N
XLogP4.03
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

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-[6-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]pyridazin-3-yl]acetamide
CID 89596759
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
3-hydroxy-2-phenyl-N-[5-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 74982579
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
N-[6-[4-[5-(benzylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982608
2-phenyl-N-[6-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]acetamide
CID 74982611
tert-Butyl (3-(2-oxo-2-((6-(4-(5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl)butyl)pyridazin-3-yl)amino)ethyl)benzyl)carbamate
CID 74982623
N-[5-[4-[6-[[2-[3-(aminomethyl)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 74982624

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide (CID 162644630) is 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)nn1.
What is the InChIKey of 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide?
The InChIKey is UKRFFBVHKNCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S2/c31-21(15-17-7-3-1-4-8-17)25-20-12-11-19(27-28-20)13-14-33-24-30-29-23(34-24)26-22(32)16-18-9-5-2-6-10-18/h1-12H,13-16H2,(H,25,28,31)(H,26,29,32).
What are the key properties of 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide?
2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide has a molecular weight of 490.61 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-[2-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 162644630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).