4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

C8H9BrN2OS — CID 168506383

IUPAC4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nccs1
InChIInChI=1S/C8H9BrN2OS/c9-4-6-3-7(12)11(5-6)8-10-1-2-13-8/h1-2,6H,3-5H2
InChIKeyPSAMXOUJQNRPQJ-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.89
Rot. Bonds2

About 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 168506383) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID168506383
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nccs1
InChIInChI=1S/C8H9BrN2OS/c9-4-6-3-7(12)11(5-6)8-10-1-2-13-8/h1-2,6H,3-5H2
InChIKeyPSAMXOUJQNRPQJ-UHFFFAOYSA-N
XLogP1.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.89
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-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
1-(5-bromo-1,3-benzothiazol-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506318
4-(bromomethyl)-1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168504313
1-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168503616
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 168506383) is 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1nccs1.
What is the InChIKey of 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is PSAMXOUJQNRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-4-6-3-7(12)11(5-6)8-10-1-2-13-8/h1-2,6H,3-5H2.
What are the key properties of 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 261.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168506383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).