1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one

C7H7BrN2OS — CID 78911639

IUPAC1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ncc(Br)s1
InChIInChI=1S/C7H7BrN2OS/c8-5-4-9-7(12-5)10-3-1-2-6(10)11/h4H,1-3H2
InChIKeyPDTMYTHGLFKWNH-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.03
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one

1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 78911639) has the molecular formula C7H7BrN2OS and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID78911639
Molecular FormulaC7H7BrN2OS
Molecular Weight247.12 g/mol
Exact Mass245.95
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ncc(Br)s1
InChIInChI=1S/C7H7BrN2OS/c8-5-4-9-7(12-5)10-3-1-2-6(10)11/h4H,1-3H2
InChIKeyPDTMYTHGLFKWNH-UHFFFAOYSA-N
XLogP2.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
1-(1,3-Thiazol-2-yl)pyrrolidine-2,5-dione
CID 934529
5-Bromo-2-(1-pyrrolidinyl)thiazole
CID 45787555
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
CID 50987374
3-Fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 175506869
4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170564
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide
CID 22170796
3-Bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 22403696
4-Bromo-2-(pyrrolidinon-1-yl)thiazole
CID 45787991
(3R)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 54504704
3-(5-Bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 54507013

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 78911639) is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1CCCN1c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is PDTMYTHGLFKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2OS/c8-5-4-9-7(12-5)10-3-1-2-6(10)11/h4H,1-3H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 247.12 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 78911639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).