2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide

C16H10N4O3S — CID 7615382

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ncnc2sccc12
InChIInChI=1S/C16H10N4O3S/c21-12(19-13-11-5-6-24-14(11)18-8-17-13)7-20-15(22)9-3-1-2-4-10(9)16(20)23/h1-6,8H,7H2,(H,17,18,19,21)
InChIKeyOTHLNCSMGMXIGK-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.93
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide (PubChem CID 7615382) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide
PubChem CID7615382
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ncnc2sccc12
InChIInChI=1S/C16H10N4O3S/c21-12(19-13-11-5-6-24-14(11)18-8-17-13)7-20-15(22)9-3-1-2-4-10(9)16(20)23/h1-6,8H,7H2,(H,17,18,19,21)
InChIKeyOTHLNCSMGMXIGK-UHFFFAOYSA-N
XLogP1.93
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide (CID 7615382) is 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ncnc2sccc12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide?
The InChIKey is OTHLNCSMGMXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c21-12(19-13-11-5-6-24-14(11)18-8-17-13)7-20-15(22)9-3-1-2-4-10(9)16(20)23/h1-6,8H,7H2,(H,17,18,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide has a molecular weight of 338.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide is sourced from PubChem (CID 7615382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).