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

C7H7BrN2OS — CID 70148584

IUPAC(3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1[C@@H](Br)CCN1c1nccs1
InChIInChI=1S/C7H7BrN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2/t5-/m0/s1
InChIKeyYEWIQJOBMDNPAT-YFKPBYRVSA-N
MW247.12 g/mol
LogP1.64
Rot. Bonds1

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

(3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 70148584) has the molecular formula C7H7BrN2OS and a molecular weight of 247.12 g/mol. Its IUPAC name is (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID70148584
Molecular FormulaC7H7BrN2OS
Molecular Weight247.12 g/mol
Exact Mass245.95
IUPAC Name(3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1[C@@H](Br)CCN1c1nccs1
InChIInChI=1S/C7H7BrN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2/t5-/m0/s1
InChIKeyYEWIQJOBMDNPAT-YFKPBYRVSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
1-(1,3-Thiazol-2-yl)pyrrolidine-2,5-dione
CID 934529
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
5-Oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716298
5-(2-Thiazolylamino)-2-pyrrolidone
CID 567575
3-Bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 22403696
(3R)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 54504704
N-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 60080641
N-ethyl-N-(1,3-thiazol-2-yl)propanamide
CID 67209449
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 78911639
CID 87288357
CID 87288357

Frequently Asked Questions

What is the IUPAC name of (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 70148584) is (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1[C@@H](Br)CCN1c1nccs1.
What is the InChIKey of (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is YEWIQJOBMDNPAT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H7BrN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2/t5-/m0/s1.
What are the key properties of (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
(3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 247.12 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-bromo-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 70148584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).