2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride

C14H20BrClN2OS — CID 2861589

IUPAC2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2OS.ClH/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;1H
InChIKeyFKLBTMNLRHQMRB-UHFFFAOYSA-N
MW379.75 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride

2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2861589) has the molecular formula C14H20BrClN2OS and a molecular weight of 379.75 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2861589
Molecular FormulaC14H20BrClN2OS
Molecular Weight379.75 g/mol
Exact Mass378.02
IUPAC Name2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2OS.ClH/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;1H
InChIKeyFKLBTMNLRHQMRB-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(4-Bromophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
CID 4999449
3-[3-(Dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
2-(3-Bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 49860518
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
3-[3-(Dimethylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860523
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 848427
2-(4-Bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
(4S)-2-(4-bromophenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399843
1-(2-Phenyl-1,3-thiazolidin-3-yl)ethan-1-one
CID 3050895

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (CID 2861589) is 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride is CN(C)CCCN1C(=O)CSC1c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is FKLBTMNLRHQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS.ClH/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;1H.
What are the key properties of 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 379.75 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2861589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).