N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide

C19H27FN2O2S — CID 53361392

IUPACN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide
SMILESCCCCCCCCCC(=O)NN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2S/c1-2-3-4-5-6-7-8-9-17(23)21-22-18(24)14-25-19(22)15-10-12-16(20)13-11-15/h10-13,19H,2-9,14H2,1H3,(H,21,23)
InChIKeyBDPAXIJZZDECPG-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.57
Rot. Bonds10

About N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide (PubChem CID 53361392) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide
PubChem CID53361392
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide
SMILESCCCCCCCCCC(=O)NN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2S/c1-2-3-4-5-6-7-8-9-17(23)21-22-18(24)14-25-19(22)15-10-12-16(20)13-11-15/h10-13,19H,2-9,14H2,1H3,(H,21,23)
InChIKeyBDPAXIJZZDECPG-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide (CID 53361392) is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide is CCCCCCCCCC(=O)NN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide?
The InChIKey is BDPAXIJZZDECPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-2-3-4-5-6-7-8-9-17(23)21-22-18(24)14-25-19(22)15-10-12-16(20)13-11-15/h10-13,19H,2-9,14H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide?
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide has a molecular weight of 366.50 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]decanamide is sourced from PubChem (CID 53361392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).