methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde

C15H16N2O3S2 — CID 143535517

IUPACmethoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCOC.Cc1c(C=O)sc2nc(-c3cccs3)[nH]c(=O)c12
InChIInChI=1S/C12H8N2O2S2.C3H8O/c1-6-8(5-15)18-12-9(6)11(16)13-10(14-12)7-3-2-4-17-7;1-3-4-2/h2-5H,1H3,(H,13,14,16);3H2,1-2H3
InChIKeyGSQUBUOIGYGOHT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.49
Rot. Bonds3

About methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde

methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 143535517) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID143535517
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namemethoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCOC.Cc1c(C=O)sc2nc(-c3cccs3)[nH]c(=O)c12
InChIInChI=1S/C12H8N2O2S2.C3H8O/c1-6-8(5-15)18-12-9(6)11(16)13-10(14-12)7-3-2-4-17-7;1-3-4-2/h2-5H,1H3,(H,13,14,16);3H2,1-2H3
InChIKeyGSQUBUOIGYGOHT-UHFFFAOYSA-N
XLogP3.49
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde (CID 143535517) is methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde is CCOC.Cc1c(C=O)sc2nc(-c3cccs3)[nH]c(=O)c12.
What is the InChIKey of methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is GSQUBUOIGYGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2.C3H8O/c1-6-8(5-15)18-12-9(6)11(16)13-10(14-12)7-3-2-4-17-7;1-3-4-2/h2-5H,1H3,(H,13,14,16);3H2,1-2H3.
What are the key properties of methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde?
methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 336.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;5-methyl-4-oxo-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 143535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).