2-(3-bromo-4-methylphenyl)-1,3-thiazolidine

C10H12BrNS — CID 105403203

IUPAC2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(C2NCCS2)cc1Br
InChIInChI=1S/C10H12BrNS/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyYBTJZNDNKFGHAC-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.09
Rot. Bonds1

About 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine

2-(3-bromo-4-methylphenyl)-1,3-thiazolidine (PubChem CID 105403203) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
PubChem CID105403203
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
SMILESCc1ccc(C2NCCS2)cc1Br
InChIInChI=1S/C10H12BrNS/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyYBTJZNDNKFGHAC-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine (CID 105403203) is 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine is Cc1ccc(C2NCCS2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine?
The InChIKey is YBTJZNDNKFGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine?
2-(3-bromo-4-methylphenyl)-1,3-thiazolidine has a molecular weight of 258.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 105403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).