1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C24H24FN3O2S — CID 75554536

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2S/c25-19-10-8-17(9-11-19)15-22(29)28-14-4-7-21(28)23(30)26-13-12-20-16-31-24(27-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,16,21H,4,7,12-15H2,(H,26,30)
InChIKeyBLDJCGVUDXSPEH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554536) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554536
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O2S/c25-19-10-8-17(9-11-19)15-22(29)28-14-4-7-21(28)23(30)26-13-12-20-16-31-24(27-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,16,21H,4,7,12-15H2,(H,26,30)
InChIKeyBLDJCGVUDXSPEH-UHFFFAOYSA-N
XLogP3.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554536) is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BLDJCGVUDXSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c25-19-10-8-17(9-11-19)15-22(29)28-14-4-7-21(28)23(30)26-13-12-20-16-31-24(27-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,16,21H,4,7,12-15H2,(H,26,30).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).