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

C14H20BrN2OS+ — CID 6936526

IUPAC3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2OS/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
InChIKeyHSKHUWQBIRBHPO-CQSZACIVSA-O
MW344.30 g/mol
LogP1.56
Rot. Bonds5

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

3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (PubChem CID 6936526) has the molecular formula C14H20BrN2OS+ and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
PubChem CID6936526
Molecular FormulaC14H20BrN2OS+
Molecular Weight344.30 g/mol
Exact Mass343.05
IUPAC Name3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2OS/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
InChIKeyHSKHUWQBIRBHPO-CQSZACIVSA-O
XLogP1.56
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936520
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
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
(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
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3685976
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
2-[1-(4-bromophenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 132657219

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (CID 6936526) is 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of 3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The InChIKey is HSKHUWQBIRBHPO-CQSZACIVSA-O. The full InChI is InChI=1S/C14H19BrN2OS/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-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium has a molecular weight of 344.30 g/mol, XLogP of 1.56, 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-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is sourced from PubChem (CID 6936526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).