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

C15H13N3O2S — CID 811280

IUPACN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14(12-7-4-10-20-12)16-15-18-17-13(21-15)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,16,18,19)
InChIKeyOWOWSASWQGANHX-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.17
Rot. Bonds5

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

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 811280) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID811280
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14(12-7-4-10-20-12)16-15-18-17-13(21-15)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,16,18,19)
InChIKeyOWOWSASWQGANHX-UHFFFAOYSA-N
XLogP3.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.17
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-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 811280) is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1.
What is the InChIKey of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is OWOWSASWQGANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(12-7-4-10-20-12)16-15-18-17-13(21-15)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,16,18,19).
What are the key properties of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 811280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).