2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine

C10H12BrNOS — CID 2771068

IUPAC2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1NCCS1
InChIInChI=1S/C10H12BrNOS/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyDAMNTCVNVMDBSU-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.79
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine

2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 2771068) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
PubChem CID2771068
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1NCCS1
InChIInChI=1S/C10H12BrNOS/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyDAMNTCVNVMDBSU-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine (CID 2771068) is 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine is COc1ccc(Br)cc1C1NCCS1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is DAMNTCVNVMDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 274.18 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2771068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).