2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

C17H19FN4O2S2 — CID 7096109

IUPAC2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C17H19FN4O2S2/c18-13-6-4-12(5-7-13)10-14(23)19-16-20-21-17(26-16)25-11-15(24)22-8-2-1-3-9-22/h4-7H,1-3,8-11H2,(H,19,20,23)
InChIKeyKWYORBCGFCHZGL-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 7096109) has the molecular formula C17H19FN4O2S2 and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID7096109
Molecular FormulaC17H19FN4O2S2
Molecular Weight394.50 g/mol
Exact Mass394.09
IUPAC Name2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCC2)s1
InChIInChI=1S/C17H19FN4O2S2/c18-13-6-4-12(5-7-13)10-14(23)19-16-20-21-17(26-16)25-11-15(24)22-8-2-1-3-9-22/h4-7H,1-3,8-11H2,(H,19,20,23)
InChIKeyKWYORBCGFCHZGL-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 7096109) is 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KWYORBCGFCHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S2/c18-13-6-4-12(5-7-13)10-14(23)19-16-20-21-17(26-16)25-11-15(24)22-8-2-1-3-9-22/h4-7H,1-3,8-11H2,(H,19,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 7096109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).