N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C8H11BrN2O2S — CID 47439081

IUPACN-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC=C(Br)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C8H11BrN2O2S/c1-6(9)2-10-7(12)3-11-5-14-4-8(11)13/h1-5H2,(H,10,12)
InChIKeyNTRBKVNPOUYVSJ-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.54
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 47439081) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID47439081
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC NameN-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC=C(Br)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C8H11BrN2O2S/c1-6(9)2-10-7(12)3-11-5-14-4-8(11)13/h1-5H2,(H,10,12)
InChIKeyNTRBKVNPOUYVSJ-UHFFFAOYSA-N
XLogP0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 47439081) is N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is C=C(Br)CNC(=O)CN1CSCC1=O.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NTRBKVNPOUYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-6(9)2-10-7(12)3-11-5-14-4-8(11)13/h1-5H2,(H,10,12).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 279.16 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 47439081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).