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

C24H24FN3O2S — CID 75554508

IUPAC1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H24FN3O2S/c25-19-9-4-6-17(14-19)15-22(29)28-13-5-10-21(28)23(30)26-12-11-20-16-31-24(27-20)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,30)
InChIKeyVPBMHKKGZQFFRR-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.84
Rot. Bonds7

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

1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554508) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554508
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C24H24FN3O2S/c25-19-9-4-6-17(14-19)15-22(29)28-13-5-10-21(28)23(30)26-12-11-20-16-31-24(27-20)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,30)
InChIKeyVPBMHKKGZQFFRR-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

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

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

Launch Full Analysis

Related Compounds

Lcl-161
CID 24737642
Marthiapeptide A
CID 71459810
(2S)-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-1-[(2R)-3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide
CID 10940667
(1-Benzhydryl-2-{2-[(4-carbamimidoyl-thiazol-2-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylamino)-acetic acid
CID 10995072
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 23644677
4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
Bathiapeptide A1
CID 168273987
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554508) is 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VPBMHKKGZQFFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c25-19-9-4-6-17(14-19)15-22(29)28-13-5-10-21(28)23(30)26-12-11-20-16-31-24(27-20)18-7-2-1-3-8-18/h1-4,6-9,14,16,21H,5,10-13,15H2,(H,26,30).
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-[2-(3-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-(3-fluorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).