N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide

C17H15BrN2O2S — CID 6737619

IUPACN-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2S/c1-11(21)19-14-6-8-15(9-7-14)20-16(22)10-23-17(20)12-2-4-13(18)5-3-12/h2-9,17H,10H2,1H3,(H,19,21)
InChIKeyAARCWQGVEIPBEP-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.19
Rot. Bonds3

About N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide

N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 6737619) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID6737619
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2S/c1-11(21)19-14-6-8-15(9-7-14)20-16(22)10-23-17(20)12-2-4-13(18)5-3-12/h2-9,17H,10H2,1H3,(H,19,21)
InChIKeyAARCWQGVEIPBEP-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AZ12216052
CID 73755190
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
2-(4-Bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5234907
2-[(4-bromobenzyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 2226940
N-(4-Bromo-phenyl)-2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-ylsulfanyl)-acetamide
CID 2852332
N-{4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl}acetamide
CID 3236432
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 18111165
4-[2-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 72204126
3-(4-Bromophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 2844803
2-(3-Bromophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232768
2-Benzylsulfanyl-N-(2-bromo-phenyl)-propionamide
CID 2890486

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 6737619) is N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is AARCWQGVEIPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-11(21)19-14-6-8-15(9-7-14)20-16(22)10-23-17(20)12-2-4-13(18)5-3-12/h2-9,17H,10H2,1H3,(H,19,21).
What are the key properties of N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide has a molecular weight of 391.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 6737619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).