1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione

C10H8N2O2S — CID 61482262

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc(C2CC2)cs1
InChIInChI=1S/C10H8N2O2S/c13-8-3-4-9(14)12(8)10-11-7(5-15-10)6-1-2-6/h3-6H,1-2H2
InChIKeyYVHWGGXNLMMMEH-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.45
Rot. Bonds2

About 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione

1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione (PubChem CID 61482262) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
PubChem CID61482262
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc(C2CC2)cs1
InChIInChI=1S/C10H8N2O2S/c13-8-3-4-9(14)12(8)10-11-7(5-15-10)6-1-2-6/h3-6H,1-2H2
InChIKeyYVHWGGXNLMMMEH-UHFFFAOYSA-N
XLogP1.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione (CID 61482262) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1nc(C2CC2)cs1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
The InChIKey is YVHWGGXNLMMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-8-3-4-9(14)12(8)10-11-7(5-15-10)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione?
1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione has a molecular weight of 220.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 61482262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).