3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

C14H20ClN2OS+ — CID 6936520

IUPAC3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m1/s1
InChIKeyUHOAIESFARWLTF-CQSZACIVSA-O
MW299.85 g/mol
LogP1.45
Rot. Bonds5

About 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (PubChem CID 6936520) has the molecular formula C14H20ClN2OS+ and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
PubChem CID6936520
Molecular FormulaC14H20ClN2OS+
Molecular Weight299.85 g/mol
Exact Mass299.10
IUPAC Name3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m1/s1
InChIKeyUHOAIESFARWLTF-CQSZACIVSA-O
XLogP1.45
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
3-butyl-2-(4-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3685976
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (CID 6936520) is 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The InChIKey is UHOAIESFARWLTF-CQSZACIVSA-O. The full InChI is InChI=1S/C14H19ClN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium has a molecular weight of 299.85 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is sourced from PubChem (CID 6936520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).