2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide

C20H18F2N4O2S — CID 86897140

IUPAC2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H18F2N4O2S/c21-15-5-1-13(2-6-15)11-18-24-25-19(29-18)23-20(27)26-9-10-28-17(12-26)14-3-7-16(22)8-4-14/h1-8,17H,9-12H2,(H,23,25,27)
InChIKeyRJSYFNJVOVLIIR-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide

2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (PubChem CID 86897140) has the molecular formula C20H18F2N4O2S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
PubChem CID86897140
Molecular FormulaC20H18F2N4O2S
Molecular Weight416.45 g/mol
Exact Mass416.11
IUPAC Name2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H18F2N4O2S/c21-15-5-1-13(2-6-15)11-18-24-25-19(29-18)23-20(27)26-9-10-28-17(12-26)14-3-7-16(22)8-4-14/h1-8,17H,9-12H2,(H,23,25,27)
InChIKeyRJSYFNJVOVLIIR-UHFFFAOYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide 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-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (CID 86897140) is 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is RJSYFNJVOVLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2S/c21-15-5-1-13(2-6-15)11-18-24-25-19(29-18)23-20(27)26-9-10-28-17(12-26)14-3-7-16(22)8-4-14/h1-8,17H,9-12H2,(H,23,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 86897140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).