N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H15FN4O2S2 — CID 16815774

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1nnc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)s1
InChIInChI=1S/C15H15FN4O2S2/c1-2-23-15-19-18-14(24-15)17-13(22)9-7-12(21)20(8-9)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,18,22)
InChIKeyPBTLCTUVOCSISW-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.78
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 16815774) has the molecular formula C15H15FN4O2S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID16815774
Molecular FormulaC15H15FN4O2S2
Molecular Weight366.44 g/mol
Exact Mass366.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1nnc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)s1
InChIInChI=1S/C15H15FN4O2S2/c1-2-23-15-19-18-14(24-15)17-13(22)9-7-12(21)20(8-9)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,18,22)
InChIKeyPBTLCTUVOCSISW-UHFFFAOYSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 980311
N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1470577
N,N-diethyl-4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 2400614
N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2477045
N-(4-fluorophenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501872
N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2584876
N-{5-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]thiadiazol-2-yl}-isobutyramide
CID 3220444
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220493
N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 5091069
1-(4-Fluorophenyl)-3-(5-{[2-oxo-2-(piperidin-1-YL)ethyl]sulfanyl}-1,3,4-thiadiazol-2-YL)urea
CID 7385221
N-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 8483105
1-(4-fluorophenyl)-N-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24892041

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 16815774) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCSc1nnc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PBTLCTUVOCSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S2/c1-2-23-15-19-18-14(24-15)17-13(22)9-7-12(21)20(8-9)11-5-3-10(16)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,17,18,22).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16815774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).