N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C11H14N4O4S2 — CID 22517562

IUPACN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C11H14N4O4S2/c1-3-15(4-2)21(17,18)11-14-13-10(20-11)12-9(16)8-6-5-7-19-8/h5-7H,3-4H2,1-2H3,(H,12,13,16)
InChIKeyHNIAYSDXQVBBDK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.41
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 22517562) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID22517562
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C11H14N4O4S2/c1-3-15(4-2)21(17,18)11-14-13-10(20-11)12-9(16)8-6-5-7-19-8/h5-7H,3-4H2,1-2H3,(H,12,13,16)
InChIKeyHNIAYSDXQVBBDK-UHFFFAOYSA-N
XLogP1.41
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 44403265
N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 2950680
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 655995
N-(5-(But-2-en-2-yl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 976314
N-(5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 2162949
N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 7191220
N-{5-[(2-Methylpropyl)(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017301
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 16017323
N-{5-[Methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017355

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 22517562) is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is HNIAYSDXQVBBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-3-15(4-2)21(17,18)11-14-13-10(20-11)12-9(16)8-6-5-7-19-8/h5-7H,3-4H2,1-2H3,(H,12,13,16).
What are the key properties of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 22517562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).