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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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).