N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide

C15H12N4O4S — CID 5262182

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1
InChIInChI=1S/C15H12N4O4S/c1-2-13-17-18-15(24-13)16-14(20)12-8-7-11(23-12)9-3-5-10(6-4-9)19(21)22/h3-8H,2H2,1H3,(H,16,18,20)
InChIKeyQZPAESOQXOJUDF-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.52
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 5262182) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID5262182
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1
InChIInChI=1S/C15H12N4O4S/c1-2-13-17-18-15(24-13)16-14(20)12-8-7-11(23-12)9-3-5-10(6-4-9)19(21)22/h3-8H,2H2,1H3,(H,16,18,20)
InChIKeyQZPAESOQXOJUDF-UHFFFAOYSA-N
XLogP3.52
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide 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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
5-(4-nitrophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16547963
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 17311359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 896521
(E)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 54787437
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 11080607
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide
CID 2552891
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
5-(benzenesulfonylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 17403780
1-(2-ethylphenyl)-3-[[5-(4-nitrophenyl)furan-2-carbonyl]amino]thiourea
CID 18871728

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 5262182) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is QZPAESOQXOJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-2-13-17-18-15(24-13)16-14(20)12-8-7-11(23-12)9-3-5-10(6-4-9)19(21)22/h3-8H,2H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 5262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).