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

C17H16FN5O4S2 — CID 22517599

IUPACN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)c1ccco1
InChIInChI=1S/C17H16FN5O4S2/c18-12-3-5-13(6-4-12)22-7-9-23(10-8-22)29(25,26)17-21-20-16(28-17)19-15(24)14-2-1-11-27-14/h1-6,11H,7-10H2,(H,19,20,24)
InChIKeyGLZXGUXOCZEFFP-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.03
Rot. Bonds5

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

N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 22517599) has the molecular formula C17H16FN5O4S2 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID22517599
Molecular FormulaC17H16FN5O4S2
Molecular Weight437.48 g/mol
Exact Mass437.06
IUPAC NameN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)c1ccco1
InChIInChI=1S/C17H16FN5O4S2/c18-12-3-5-13(6-4-12)22-7-9-23(10-8-22)29(25,26)17-21-20-16(28-17)19-15(24)14-2-1-11-27-14/h1-6,11H,7-10H2,(H,19,20,24)
InChIKeyGLZXGUXOCZEFFP-UHFFFAOYSA-N
XLogP2.03
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 651254
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide
CID 2350751
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 3680894
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
N-{5-[Ethyl(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017382
N-[5-[methyl(o-tolyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furamide
CID 16017390
N-{5-[Methyl(4-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017472
N-{5-[(4-Methoxyphenyl)(2-methylpropyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017482
N-{5-[(3,5-Dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017508
N-{5-[(4-Chlorophenyl)(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}furan-2-carboxamide
CID 16017612

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 22517599) is N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)c1ccco1.
What is the InChIKey of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is GLZXGUXOCZEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4S2/c18-12-3-5-13(6-4-12)22-7-9-23(10-8-22)29(25,26)17-21-20-16(28-17)19-15(24)14-2-1-11-27-14/h1-6,11H,7-10H2,(H,19,20,24).
What are the key properties of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 22517599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).