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

C14H11N3O2S2 — CID 2370927

IUPACN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1
InChIInChI=1S/C14H11N3O2S2/c18-12(11-7-4-8-19-11)15-13-16-17-14(21-13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16,18)
InChIKeyGRFYNUQPYYLWMT-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.68
Rot. Bonds5

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

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 2370927) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID2370927
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1
InChIInChI=1S/C14H11N3O2S2/c18-12(11-7-4-8-19-11)15-13-16-17-14(21-13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16,18)
InChIKeyGRFYNUQPYYLWMT-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
4,5-dimethyl-N-1,3,4-thiadiazol-2-yl-2-furamide
CID 2991856
Ethyl 2-((5-(furan-2-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 3570554

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 2370927) is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1.
What is the InChIKey of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is GRFYNUQPYYLWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c18-12(11-7-4-8-19-11)15-13-16-17-14(21-13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16,18).
What are the key properties of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2370927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).