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

C15H12FN3O2S — CID 1250258

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C15H12FN3O2S/c1-2-13-18-19-15(22-13)17-14(20)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19,20)
InChIKeyUWFXHUAWLKBYJL-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.75
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 1250258) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID1250258
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1
InChIInChI=1S/C15H12FN3O2S/c1-2-13-18-19-15(22-13)17-14(20)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19,20)
InChIKeyUWFXHUAWLKBYJL-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.75
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-((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-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2085072
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 5147688
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 6492571

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide (CID 1250258) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide is CCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is UWFXHUAWLKBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-2-13-18-19-15(22-13)17-14(20)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1250258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).