2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole

C16H15N5O3S — CID 11371737

IUPAC2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)s2)o1
InChIInChI=1S/C16H15N5O3S/c22-21(23)14-7-6-13(24-14)15-17-18-16(25-15)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyWYBFYMKTSVBAKW-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.03
Rot. Bonds4

About 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole

2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 11371737) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID11371737
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)s2)o1
InChIInChI=1S/C16H15N5O3S/c22-21(23)14-7-6-13(24-14)15-17-18-16(25-15)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyWYBFYMKTSVBAKW-UHFFFAOYSA-N
XLogP3.03
TPSA88.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

[4-[5-(5-Nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 44401303
4-[4-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N'-propylbenzenecarboximidamide;hydrochloride
CID 53248739
N'-butyl-4-[4-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 53248741
N'-benzyl-4-[4-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 53248743
Mt KARI-IN-2
CID 162652039
Mt KARI-IN-4
CID 162658771
(2-Chlorophenyl)-[4-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 24939284
1-[4-[5-(5-Nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 44401273
2-(5-Nitrofuran-2-yl)-5-piperidin-1-yl-1,3,4-thiadiazole
CID 44401311
2-(5-Nitrofuran-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 44401399
2-(4-Methylpiperazin-1-yl)-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole
CID 44401430
4-[5-(5-Nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]morpholine
CID 44401580

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole (CID 11371737) is 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole is O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)s2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is WYBFYMKTSVBAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c22-21(23)14-7-6-13(24-14)15-17-18-16(25-15)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole?
2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 357.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 11371737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).