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

C15H18FN5O3S2 — CID 100769985

IUPACN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C15H18FN5O3S2/c1-2-13(22)17-14-18-19-15(25-14)26(23,24)21-9-7-20(8-10-21)12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,18,22)
InChIKeyDXXOXYMUVWMTKN-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.54
Rot. Bonds5

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

N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100769985) has the molecular formula C15H18FN5O3S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100769985
Molecular FormulaC15H18FN5O3S2
Molecular Weight399.47 g/mol
Exact Mass399.08
IUPAC NameN-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C15H18FN5O3S2/c1-2-13(22)17-14-18-19-15(25-14)26(23,24)21-9-7-20(8-10-21)12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,18,22)
InChIKeyDXXOXYMUVWMTKN-UHFFFAOYSA-N
XLogP1.54
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 1402444
N-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
CID 95875500
N-[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100596907
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 45495492
N-[5-[4-(2-oxopropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110665646
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110300305
N-[5-[[4-(3-methylpiperidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 133228886
N-[5-[4-(2,2-dimethylpropyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110308658
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030
N-[5-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]pentanamide
CID 46271929

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide (CID 100769985) is N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is DXXOXYMUVWMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O3S2/c1-2-13(22)17-14-18-19-15(25-14)26(23,24)21-9-7-20(8-10-21)12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,18,22).
What are the key properties of N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 399.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]propanamide is sourced from PubChem (CID 100769985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).