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

C19H19F3N6O2S — CID 74982828

IUPACN-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1
InChIInChI=1S/C19H19F3N6O2S/c20-19(21,22)30-14-6-3-4-12(10-14)11-16(29)24-15-9-8-13(25-26-15)5-1-2-7-17-27-28-18(23)31-17/h3-4,6,8-10H,1-2,5,7,11H2,(H2,23,28)(H,24,26,29)
InChIKeySXFQBUKKIKMRPM-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.56
Rot. Bonds9

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

N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 74982828) has the molecular formula C19H19F3N6O2S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID74982828
Molecular FormulaC19H19F3N6O2S
Molecular Weight452.46 g/mol
Exact Mass452.12
IUPAC NameN-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1
InChIInChI=1S/C19H19F3N6O2S/c20-19(21,22)30-14-6-3-4-12(10-14)11-16(29)24-15-9-8-13(25-26-15)5-1-2-7-17-27-28-18(23)31-17/h3-4,6,8-10H,1-2,5,7,11H2,(H2,23,28)(H,24,26,29)
InChIKeySXFQBUKKIKMRPM-UHFFFAOYSA-N
XLogP3.56
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 74982828) is N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1.
What is the InChIKey of N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SXFQBUKKIKMRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2S/c20-19(21,22)30-14-6-3-4-12(10-14)11-16(29)24-15-9-8-13(25-26-15)5-1-2-7-17-27-28-18(23)31-17/h3-4,6,8-10H,1-2,5,7,11H2,(H2,23,28)(H,24,26,29).
What are the key properties of N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 452.46 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(5-amino-1,3,4-thiadiazol-2-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 74982828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).