N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide

C20H19FN4OS — CID 86942029

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C20H19FN4OS/c21-16-10-8-15(9-11-16)18-22-20(27-24-18)23-19(26)17(25-12-4-5-13-25)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2,(H,22,23,24,26)
InChIKeyODDRNOXPEPHRJH-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.12
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 86942029) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID86942029
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)ns1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C20H19FN4OS/c21-16-10-8-15(9-11-16)18-22-20(27-24-18)23-19(26)17(25-12-4-5-13-25)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2,(H,22,23,24,26)
InChIKeyODDRNOXPEPHRJH-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 86942029) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(Nc1nc(-c2ccc(F)cc2)ns1)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ODDRNOXPEPHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-16-10-8-15(9-11-16)18-22-20(27-24-18)23-19(26)17(25-12-4-5-13-25)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2,(H,22,23,24,26).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 382.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86942029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).