1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione

C8H6N2O2S — CID 28502542

IUPAC1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESCc1cnc(N2C(=O)C=CC2=O)s1
InChIInChI=1S/C8H6N2O2S/c1-5-4-9-8(13-5)10-6(11)2-3-7(10)12/h2-4H,1H3
InChIKeyGJISIWRRVDAUIF-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.88
Rot. Bonds1

About 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione

1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione (PubChem CID 28502542) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
PubChem CID28502542
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESCc1cnc(N2C(=O)C=CC2=O)s1
InChIInChI=1S/C8H6N2O2S/c1-5-4-9-8(13-5)10-6(11)2-3-7(10)12/h2-4H,1H3
InChIKeyGJISIWRRVDAUIF-UHFFFAOYSA-N
XLogP0.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-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

4-(2-Fluoroprop-2-enoyl)-1-(5-methyl-1,3-thiazol-2-yl)piperazin-2-one
CID 176112151
1-(1,3-thiazol-2-yl)-1H-pyrrole-2,5-dione
CID 255362
N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 43616254
2-(n-Methylacetamido)-5-methylthiazole
CID 67304309
3-Bromo-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 146643685
1-(5-Methyl-1,3-thiazol-2-yl)-4-prop-2-enoylpiperazin-2-one
CID 171550414
3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 175016144
1-(5-Methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 175016145
4-[(E)-4-(dimethylamino)but-2-enoyl]-1-(5-methyl-1,3-thiazol-2-yl)piperazin-2-one
CID 176557523
1-(5-Methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 176887841
3-Methyl-1-(2,5-thiazolyl)-3-pyrroline-2,5-dione
CID 3364124
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24645365

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione (CID 28502542) is 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione is Cc1cnc(N2C(=O)C=CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The InChIKey is GJISIWRRVDAUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-5-4-9-8(13-5)10-6(11)2-3-7(10)12/h2-4H,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione has a molecular weight of 194.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 28502542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).