N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C18H20N6OS — CID 74982604

IUPACN-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESNc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C18H20N6OS/c19-15-11-10-14(21-22-15)8-4-5-9-17-23-24-18(26-17)20-16(25)12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H2,19,22)(H,20,24,25)
InChIKeyIVTDVOFOSZGNFV-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.66
Rot. Bonds8

About N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 74982604) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID74982604
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESNc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1
InChIInChI=1S/C18H20N6OS/c19-15-11-10-14(21-22-15)8-4-5-9-17-23-24-18(26-17)20-16(25)12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H2,19,22)(H,20,24,25)
InChIKeyIVTDVOFOSZGNFV-UHFFFAOYSA-N
XLogP2.66
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 74982604) is N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)nn1.
What is the InChIKey of N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is IVTDVOFOSZGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-15-11-10-14(21-22-15)8-4-5-9-17-23-24-18(26-17)20-16(25)12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H2,19,22)(H,20,24,25).
What are the key properties of N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 368.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(6-aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 74982604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).