2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide

C12H11FN2O2S — CID 82015536

IUPAC2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H11FN2O2S/c13-7-4-5-9(8(6-7)12(14)18)15-10(16)2-1-3-11(15)17/h4-6H,1-3H2,(H2,14,18)
InChIKeyBQJCTQVFIGZNPS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.50
Rot. Bonds2

About 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide

2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide (PubChem CID 82015536) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide
PubChem CID82015536
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H11FN2O2S/c13-7-4-5-9(8(6-7)12(14)18)15-10(16)2-1-3-11(15)17/h4-6H,1-3H2,(H2,14,18)
InChIKeyBQJCTQVFIGZNPS-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide (CID 82015536) is 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide is NC(=S)c1cc(F)ccc1N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide?
The InChIKey is BQJCTQVFIGZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-7-4-5-9(8(6-7)12(14)18)15-10(16)2-1-3-11(15)17/h4-6H,1-3H2,(H2,14,18).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide?
2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide has a molecular weight of 266.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-5-fluorobenzenecarbothioamide is sourced from PubChem (CID 82015536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).