2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C11H11ClN2O2S — CID 114513494

About 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513494) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
• PubChem CID: 114513494
• Molecular Formula: C11H11ClN2O2S
• Molecular Weight: 270.74 g/mol
• Exact Mass: 270.02
• IUPAC Name: 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
• SMILES: O=C1C2CCCC2C(=O)N1Cc1cnc(Cl)s1
• InChI: InChI=1S/C11H11ClN2O2S/c12-11-13-4-6(17-11)5-14-9(15)7-2-1-3-8(7)10(14)16/h4,7-8H,1-3,5H2
• InChIKey: XWOIUQXILZIKRG-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 50.27 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.74
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513494) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is O=C1C2CCCC2C(=O)N1Cc1cnc(Cl)s1.

What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

The InChIKey is XWOIUQXILZIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-11-13-4-6(17-11)5-14-9(15)7-2-1-3-8(7)10(14)16/h4,7-8H,1-3,5H2.

What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?

2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 270.74 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).