3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione

C15H10N4O2S2 — CID 24898267

IUPAC3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sccc23)C1=O
InChIInChI=1S/C15H10N4O2S2/c1-8-7-11(20)19(15(8)21)18-12-9-4-6-23-14(9)17-13(16-12)10-3-2-5-22-10/h2-7H,1H3,(H,16,17,18)
InChIKeyVBQRCOMMHNASLG-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.06
Rot. Bonds3

About 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione

3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione (PubChem CID 24898267) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
PubChem CID24898267
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC Name3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sccc23)C1=O
InChIInChI=1S/C15H10N4O2S2/c1-8-7-11(20)19(15(8)21)18-12-9-4-6-23-14(9)17-13(16-12)10-3-2-5-22-10/h2-7H,1H3,(H,16,17,18)
InChIKeyVBQRCOMMHNASLG-UHFFFAOYSA-N
XLogP3.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione (CID 24898267) is 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione is CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sccc23)C1=O.
What is the InChIKey of 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
The InChIKey is VBQRCOMMHNASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c1-8-7-11(20)19(15(8)21)18-12-9-4-6-23-14(9)17-13(16-12)10-3-2-5-22-10/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione?
3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione has a molecular weight of 342.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 24898267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).