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

C13H9N3O2S — CID 811287

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1ccccc1
InChIInChI=1S/C13H9N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-8H,(H,14,16,17)
InChIKeyOJXRENGVQIIANA-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.05
Rot. Bonds3

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 811287) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID811287
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1ccccc1
InChIInChI=1S/C13H9N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-8H,(H,14,16,17)
InChIKeyOJXRENGVQIIANA-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 659827
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 695203
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 711635
N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
CID 808863
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 811287) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OJXRENGVQIIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h1-8H,(H,14,16,17).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 271.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 811287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).