methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

C11H12N2O2S2 — CID 725203

IUPACmethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3
InChIKeyCLEWZMBGKWSZLI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.57
Rot. Bonds3

About methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 725203) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID725203
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3
InChIKeyCLEWZMBGKWSZLI-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 725203) is methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1ncnc2sc(C)c(C)c12.
What is the InChIKey of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is CLEWZMBGKWSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-8(14)15-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 268.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 725203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).