2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one

C5H3BrN2OS — CID 52988179

IUPAC2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESO=C1NCc2nc(Br)sc21
InChIInChI=1S/C5H3BrN2OS/c6-5-8-2-1-7-4(9)3(2)10-5/h1H2,(H,7,9)
InChIKeyLMKPCUIQKOPGQL-UHFFFAOYSA-N
MW219.06 g/mol
LogP1.15
Rot. Bonds

About 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one

2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (PubChem CID 52988179) has the molecular formula C5H3BrN2OS and a molecular weight of 219.06 g/mol. Its IUPAC name is 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
PubChem CID52988179
Molecular FormulaC5H3BrN2OS
Molecular Weight219.06 g/mol
Exact Mass217.91
IUPAC Name2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESO=C1NCc2nc(Br)sc21
InChIInChI=1S/C5H3BrN2OS/c6-5-8-2-1-7-4(9)3(2)10-5/h1H2,(H,7,9)
InChIKeyLMKPCUIQKOPGQL-UHFFFAOYSA-N
XLogP1.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-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

CID 49506769
CID 49506769
CID 71789101
CID 71789101
CID 59703749
CID 59703749
CID 67453541
CID 67453541
CID 84618134
CID 84618134
CID 118329367
CID 118329367
CID 118330359
CID 118330359
CID 124006851
CID 124006851
CID 130426368
CID 130426368
CID 132033843
CID 132033843
CID 142638831
CID 142638831
CID 156346318
CID 156346318

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The IUPAC name of 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (CID 52988179) is 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.
What is the SMILES notation for 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The canonical SMILES for 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is O=C1NCc2nc(Br)sc21.
What is the InChIKey of 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The InChIKey is LMKPCUIQKOPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2OS/c6-5-8-2-1-7-4(9)3(2)10-5/h1H2,(H,7,9).
What are the key properties of 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one has a molecular weight of 219.06 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is sourced from PubChem (CID 52988179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).