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

C21H25ClFN2OS+ — CID 7414739

IUPAC[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
SMILESCC(C)[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C21H24ClFN2OS/c1-15(2)24(13-16-7-3-6-10-19(16)23)14-20(26)25-11-12-27-21(25)17-8-4-5-9-18(17)22/h3-10,15,21H,11-14H2,1-2H3/p+1/t21-/m0/s1
InChIKeyABCFUFFZWNALRZ-NRFANRHFSA-O
MW407.96 g/mol
LogP3.55
Rot. Bonds6

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

[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium (PubChem CID 7414739) has the molecular formula C21H25ClFN2OS+ and a molecular weight of 407.96 g/mol. Its IUPAC name is [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
PubChem CID7414739
Molecular FormulaC21H25ClFN2OS+
Molecular Weight407.96 g/mol
Exact Mass407.14
IUPAC Name[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium
SMILESCC(C)[NH+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F
InChIInChI=1S/C21H24ClFN2OS/c1-15(2)24(13-16-7-3-6-10-19(16)23)14-20(26)25-11-12-27-21(25)17-8-4-5-9-18(17)22/h3-10,15,21H,11-14H2,1-2H3/p+1/t21-/m0/s1
InChIKeyABCFUFFZWNALRZ-NRFANRHFSA-O
XLogP3.55
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.96
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-(2-methylpropyl)azanium
CID 7361628
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248185
(2,5-dimethylphenyl)methyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-propan-2-ylazanium
CID 7495109
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122329427
ethyl (2R)-2-[[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-cyclopropylamino]propanoate
CID 129430234
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
1-[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-fluorophenyl)ethanone
CID 99878582
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
2-[butyl-[(3,5-difluorophenyl)methyl]amino]-1-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 93116729
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 122329384
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium?
The IUPAC name of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium (CID 7414739) is [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium.
What is the SMILES notation for [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium?
The canonical SMILES for [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium is CC(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]-propan-2-ylazanium?
The InChIKey is ABCFUFFZWNALRZ-NRFANRHFSA-O. The full InChI is InChI=1S/C21H24ClFN2OS/c1-15(2)24(13-16-7-3-6-10-19(16)23)14-20(26)25-11-12-27-21(25)17-8-4-5-9-18(17)22/h3-10,15,21H,11-14H2,1-2H3/p+1/t21-/m0/s1.
What are the key properties of [2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium?
[2-[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2-fluorophenyl)methyl]-propan-2-ylazanium has a molecular weight of 407.96 g/mol, XLogP of 3.55, 6 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]-propan-2-ylazanium is sourced from PubChem (CID 7414739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).