2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C22H26F2N2OS — CID 7431752

IUPAC2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H26F2N2OS/c1-2-3-12-25(15-17-4-8-19(23)9-5-17)16-21(27)26-13-14-28-22(26)18-6-10-20(24)11-7-18/h4-11,22H,2-3,12-16H2,1H3/t22-/m0/s1
InChIKeyZFANSAQWBPFAGW-QFIPXVFZSA-N
MW404.53 g/mol
LogP4.84
Rot. Bonds8

About 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7431752) has the molecular formula C22H26F2N2OS and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID7431752
Molecular FormulaC22H26F2N2OS
Molecular Weight404.53 g/mol
Exact Mass404.17
IUPAC Name2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C22H26F2N2OS/c1-2-3-12-25(15-17-4-8-19(23)9-5-17)16-21(27)26-13-14-28-22(26)18-6-10-20(24)11-7-18/h4-11,22H,2-3,12-16H2,1H3/t22-/m0/s1
InChIKeyZFANSAQWBPFAGW-QFIPXVFZSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone 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

ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
2-[butyl-[(3,5-difluorophenyl)methyl]amino]-1-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 93116729
benzyl 2-[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]acetate
CID 93116698
2-[(3-chlorophenyl)methyl-(2-methylpropyl)amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7418911
ethyl (2R)-2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]propanoate
CID 7499435
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359545
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 42796952
methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
CID 42796946
2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 93116678
2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801753

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 7431752) is 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is ZFANSAQWBPFAGW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26F2N2OS/c1-2-3-12-25(15-17-4-8-19(23)9-5-17)16-21(27)26-13-14-28-22(26)18-6-10-20(24)11-7-18/h4-11,22H,2-3,12-16H2,1H3/t22-/m0/s1.
What are the key properties of 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 404.53 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7431752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).