N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C19H15N5O3S — CID 56761997

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C19H15N5O3S/c25-16(12-24-18(26)9-8-14(23-24)15-7-4-10-27-15)20-19-22-21-17(28-19)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22,25)
InChIKeyPNOOTTRTCZSXEZ-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.58
Rot. Bonds6

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 56761997) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID56761997
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C19H15N5O3S/c25-16(12-24-18(26)9-8-14(23-24)15-7-4-10-27-15)20-19-22-21-17(28-19)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22,25)
InChIKeyPNOOTTRTCZSXEZ-UHFFFAOYSA-N
XLogP2.58
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]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-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 56761997) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PNOOTTRTCZSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-16(12-24-18(26)9-8-14(23-24)15-7-4-10-27-15)20-19-22-21-17(28-19)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,22,25).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 56761997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).