N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C11H11BrN2O2S — CID 8871207

IUPACN-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c12-8-2-1-3-9(6-8)13-10(15)7-14-4-5-17-11(14)16/h1-3,6H,4-5,7H2,(H,13,15)
InChIKeyWBUVPZQSPKVJBT-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.56
Rot. Bonds3

About N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 8871207) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID8871207
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC NameN-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c12-8-2-1-3-9(6-8)13-10(15)7-14-4-5-17-11(14)16/h1-3,6H,4-5,7H2,(H,13,15)
InChIKeyWBUVPZQSPKVJBT-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
CID 9075405
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63602299
1-(3-chlorophenyl)-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]thiourea
CID 9088038
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
N-(3-bromophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058739
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 8871207) is N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CCSC1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is WBUVPZQSPKVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-8-2-1-3-9(6-8)13-10(15)7-14-4-5-17-11(14)16/h1-3,6H,4-5,7H2,(H,13,15).
What are the key properties of N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 315.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 8871207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).