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

C15H13N3O3S — CID 743416

IUPAC3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1
InChIInChI=1S/C15H13N3O3S/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyAUGBKBASRNTBQI-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.45
Rot. Bonds5

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

3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 743416) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID743416
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1
InChIInChI=1S/C15H13N3O3S/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)
InChIKeyAUGBKBASRNTBQI-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
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-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 6492571
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 659827
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 743416) is 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1.
What is the InChIKey of 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is AUGBKBASRNTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19).
What are the key properties of 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 743416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).