[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium

C22H27ClFN2OS+ — CID 7361628

IUPAC[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C22H26ClFN2OS/c1-16(2)13-25(14-17-7-3-6-10-20(17)24)15-21(27)26-11-12-28-22(26)18-8-4-5-9-19(18)23/h3-10,16,22H,11-15H2,1-2H3/p+1/t22-/m0/s1
InChIKeyXTILSSUVTNVEQD-QFIPXVFZSA-O
MW421.99 g/mol
LogP3.79
Rot. Bonds7

About [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium

[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium (PubChem CID 7361628) has the molecular formula C22H27ClFN2OS+ and a molecular weight of 421.99 g/mol. Its IUPAC name is [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium.

Molecular Properties

Compound Name[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
PubChem CID7361628
Molecular FormulaC22H27ClFN2OS+
Molecular Weight421.99 g/mol
Exact Mass421.15
IUPAC Name[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C22H26ClFN2OS/c1-16(2)13-25(14-17-7-3-6-10-20(17)24)15-21(27)26-11-12-28-22(26)18-8-4-5-9-19(18)23/h3-10,16,22H,11-15H2,1-2H3/p+1/t22-/m0/s1
InChIKeyXTILSSUVTNVEQD-QFIPXVFZSA-O
XLogP3.79
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium 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

[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
CID 7414739
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248185
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122329427
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
1-[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-fluorophenyl)ethanone
CID 99878582
2-[butyl-[(3,5-difluorophenyl)methyl]amino]-1-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 93116729
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate
CID 129430234
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 122329384
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122329426

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium?
The IUPAC name of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium (CID 7361628) is [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium.
What is the SMILES notation for [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium?
The canonical SMILES for [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium is CC(C)C[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F.
What is the InChIKey of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium?
The InChIKey is XTILSSUVTNVEQD-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H26ClFN2OS/c1-16(2)13-25(14-17-7-3-6-10-20(17)24)15-21(27)26-11-12-28-22(26)18-8-4-5-9-19(18)23/h3-10,16,22H,11-15H2,1-2H3/p+1/t22-/m0/s1.
What are the key properties of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium?
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium has a molecular weight of 421.99 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium is sourced from PubChem (CID 7361628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).