N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

C11H12Br2N2O2S — CID 103413589

IUPACN-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CSCN2)c(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O2S/c1-17-10-3-8(6(12)2-7(10)13)15-11(16)9-4-18-5-14-9/h2-3,9,14H,4-5H2,1H3,(H,15,16)
InChIKeyIYSUJYFHGXVORB-UHFFFAOYSA-N
MW396.10 g/mol
LogP2.82
Rot. Bonds3

About N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103413589) has the molecular formula C11H12Br2N2O2S and a molecular weight of 396.10 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103413589
Molecular FormulaC11H12Br2N2O2S
Molecular Weight396.10 g/mol
Exact Mass393.90
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CSCN2)c(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O2S/c1-17-10-3-8(6(12)2-7(10)13)15-11(16)9-4-18-5-14-9/h2-3,9,14H,4-5H2,1H3,(H,15,16)
InChIKeyIYSUJYFHGXVORB-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.10
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43709146
N-(2-bromo-4-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43711294
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
methyl 2,4-difluoro-5-(1,3-thiazolidine-4-carbonylamino)benzoate
CID 43712858
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 103413589) is N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is COc1cc(NC(=O)C2CSCN2)c(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IYSUJYFHGXVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2S/c1-17-10-3-8(6(12)2-7(10)13)15-11(16)9-4-18-5-14-9/h2-3,9,14H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 396.10 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103413589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).