2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride

C10H13BrClNOS — CID 126475922

IUPAC2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
SMILESCOc1ccc(C2NCCS2)cc1Br.Cl
InChIInChI=1S/C10H12BrNOS.ClH/c1-13-9-3-2-7(6-8(9)11)10-12-4-5-14-10;/h2-3,6,10,12H,4-5H2,1H3;1H
InChIKeyCCVYQCCCLHSEQP-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.21
Rot. Bonds2

About 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride

2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride (PubChem CID 126475922) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
PubChem CID126475922
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
SMILESCOc1ccc(C2NCCS2)cc1Br.Cl
InChIInChI=1S/C10H12BrNOS.ClH/c1-13-9-3-2-7(6-8(9)11)10-12-4-5-14-10;/h2-3,6,10,12H,4-5H2,1H3;1H
InChIKeyCCVYQCCCLHSEQP-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
CID 105403203
2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
CID 97288722
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
CID 66217529
(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6940216
(2S)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6940215
2-(6-methoxy-3-pyridinyl)-1,3-thiazolidine
CID 114938310
2-(4-methylphenyl)-1,3-thiazolidine
CID 2771069
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
CID 63156689
4-(1,3-thiazolidin-2-yl)benzonitrile;hydrochloride
CID 170986640

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride (CID 126475922) is 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride is COc1ccc(C2NCCS2)cc1Br.Cl.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride?
The InChIKey is CCVYQCCCLHSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS.ClH/c1-13-9-3-2-7(6-8(9)11)10-12-4-5-14-10;/h2-3,6,10,12H,4-5H2,1H3;1H.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride?
2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride has a molecular weight of 310.64 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 126475922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).