N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H18BrClN2OS2 — CID 119322831

IUPACN-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CSCN1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H17BrN2OS2.ClH/c1-9(19-11-4-2-10(14)3-5-11)6-15-13(17)12-7-18-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H
InChIKeyHBUFLHYMPHRBHR-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119322831) has the molecular formula C13H18BrClN2OS2 and a molecular weight of 397.79 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119322831
Molecular FormulaC13H18BrClN2OS2
Molecular Weight397.79 g/mol
Exact Mass395.97
IUPAC NameN-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CSCN1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H17BrN2OS2.ClH/c1-9(19-11-4-2-10(14)3-5-11)6-15-13(17)12-7-18-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H
InChIKeyHBUFLHYMPHRBHR-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 119302976
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
CID 95240217
N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782383
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
N-(2-cyclopropylpropyl)-1,3-thiazolidine-4-carboxamide
CID 115733848

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119322831) is N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(CNC(=O)C1CSCN1)Sc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is HBUFLHYMPHRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS2.ClH/c1-9(19-11-4-2-10(14)3-5-11)6-15-13(17)12-7-18-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 397.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119322831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).