pyrrolo[3,4-d][1,3]thiazole-4,6-dione

C5H2N2O2S — CID 18442733

IUPACpyrrolo[3,4-d][1,3]thiazole-4,6-dione
SMILESO=C1NC(=O)c2scnc21
InChIInChI=1S/C5H2N2O2S/c8-4-2-3(5(9)7-4)10-1-6-2/h1H,(H,7,8,9)
InChIKeyOYKUMLNMYNHCHY-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.03
Rot. Bonds

About pyrrolo[3,4-d][1,3]thiazole-4,6-dione

pyrrolo[3,4-d][1,3]thiazole-4,6-dione (PubChem CID 18442733) has the molecular formula C5H2N2O2S and a molecular weight of 154.15 g/mol. Its IUPAC name is pyrrolo[3,4-d][1,3]thiazole-4,6-dione.

Molecular Properties

Compound Namepyrrolo[3,4-d][1,3]thiazole-4,6-dione
PubChem CID18442733
Molecular FormulaC5H2N2O2S
Molecular Weight154.15 g/mol
Exact Mass153.98
IUPAC Namepyrrolo[3,4-d][1,3]thiazole-4,6-dione
SMILESO=C1NC(=O)c2scnc21
InChIInChI=1S/C5H2N2O2S/c8-4-2-3(5(9)7-4)10-1-6-2/h1H,(H,7,8,9)
InChIKeyOYKUMLNMYNHCHY-UHFFFAOYSA-N
XLogP0.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pyrrolo[3,4-d][1,3]thiazole-4,6-dione 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

pyrrolo[3,4-c][1,2]thiazole-4,6-dione
CID 67817113
5-methoxy-1,3-benzothiazole-4,7-dione
CID 67392986
13-chloro-2-methyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287637
4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one
CID 138377544
1,3-benzothiazole-4,5-dione
CID 22021687
4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole
CID 66728317
7,8-dihydro-1H-imidazo[4,5-e][1,3]diazepine-4,6-dione
CID 70342938
(12E)-2,5,8-triazatricyclo[7.6.0.03,7]pentadeca-1(9),2,7,12-tetraene-4,6-dione
CID 178158663
5-[(1,3-dioxoisoindol-5-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629679
6-(5-amino-1,3-thiazol-4-yl)-4H-1,4-benzothiazin-3-one
CID 82486044
pyrrolo[3,4-c]isoquinoline-1,3-dione
CID 165077456
3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione
CID 135732714

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The IUPAC name of pyrrolo[3,4-d][1,3]thiazole-4,6-dione (CID 18442733) is pyrrolo[3,4-d][1,3]thiazole-4,6-dione.
What is the SMILES notation for pyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The canonical SMILES for pyrrolo[3,4-d][1,3]thiazole-4,6-dione is O=C1NC(=O)c2scnc21.
What is the InChIKey of pyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The InChIKey is OYKUMLNMYNHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N2O2S/c8-4-2-3(5(9)7-4)10-1-6-2/h1H,(H,7,8,9).
What are the key properties of pyrrolo[3,4-d][1,3]thiazole-4,6-dione?
pyrrolo[3,4-d][1,3]thiazole-4,6-dione has a molecular weight of 154.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-d][1,3]thiazole-4,6-dione is sourced from PubChem (CID 18442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).