N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide

C11H10BrN3OS — CID 43709146

IUPACN-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSCN2)c(Br)c1
InChIInChI=1S/C11H10BrN3OS/c12-8-3-7(4-13)1-2-9(8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16)
InChIKeyMKSFYOMDFSZGJI-UHFFFAOYSA-N
MW312.19 g/mol
LogP1.92
Rot. Bonds2

About N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide

N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43709146) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43709146
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSCN2)c(Br)c1
InChIInChI=1S/C11H10BrN3OS/c12-8-3-7(4-13)1-2-9(8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16)
InChIKeyMKSFYOMDFSZGJI-UHFFFAOYSA-N
XLogP1.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43711294
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659
N-(2,4-dibromo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 103413589
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82908517
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
CID 113231348
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide (CID 43709146) is N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CSCN2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MKSFYOMDFSZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c12-8-3-7(4-13)1-2-9(8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16).
What are the key properties of N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43709146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).