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

C14H11N3O2S — CID 684928

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccco1
InChIInChI=1S/C14H11N3O2S/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyJJULAIYTWFXTEJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.97
Rot. Bonds4

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 684928) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID684928
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1ccco1
InChIInChI=1S/C14H11N3O2S/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyJJULAIYTWFXTEJ-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 684928) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1ccco1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is JJULAIYTWFXTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 684928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).