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

C15H11FN4O3S2 — CID 3680894

IUPACN-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccccc1F
InChIInChI=1S/C15H11FN4O3S2/c16-9-4-1-2-5-10(9)17-12(21)8-24-15-20-19-14(25-15)18-13(22)11-6-3-7-23-11/h1-7H,8H2,(H,17,21)(H,18,19,22)
InChIKeyPYYRHAAHZIJUQC-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.25
Rot. Bonds6

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

N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 3680894) has the molecular formula C15H11FN4O3S2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID3680894
Molecular FormulaC15H11FN4O3S2
Molecular Weight378.41 g/mol
Exact Mass378.03
IUPAC NameN-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccccc1F
InChIInChI=1S/C15H11FN4O3S2/c16-9-4-1-2-5-10(9)17-12(21)8-24-15-20-19-14(25-15)18-13(22)11-6-3-7-23-11/h1-7H,8H2,(H,17,21)(H,18,19,22)
InChIKeyPYYRHAAHZIJUQC-UHFFFAOYSA-N
XLogP3.25
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

1-(4-Fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3150913
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 5147688
N-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 651254
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 655995
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide
CID 2350751
N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2367979
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 2370927
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 2376685
N-(5-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 3690409
N-{5-[(2-Methylpropyl)(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017301
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 16017323
N-{5-[Methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017355

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 3680894) is N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccccc1F.
What is the InChIKey of N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is PYYRHAAHZIJUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3S2/c16-9-4-1-2-5-10(9)17-12(21)8-24-15-20-19-14(25-15)18-13(22)11-6-3-7-23-11/h1-7H,8H2,(H,17,21)(H,18,19,22).
What are the key properties of N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3680894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).