2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid

C11H12N2O2S2 — CID 102686157

IUPAC2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
SMILESCc1csc2c(SCC(C)C(=O)O)ncnc12
InChIInChI=1S/C11H12N2O2S2/c1-6-3-16-9-8(6)12-5-13-10(9)17-4-7(2)11(14)15/h3,5,7H,4H2,1-2H3,(H,14,15)
InChIKeyQUEBXRFUOPVBIO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid

2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid (PubChem CID 102686157) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
PubChem CID102686157
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
SMILESCc1csc2c(SCC(C)C(=O)O)ncnc12
InChIInChI=1S/C11H12N2O2S2/c1-6-3-16-9-8(6)12-5-13-10(9)17-4-7(2)11(14)15/h3,5,7H,4H2,1-2H3,(H,14,15)
InChIKeyQUEBXRFUOPVBIO-UHFFFAOYSA-N
XLogP2.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid 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 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The IUPAC name of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid (CID 102686157) is 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid is Cc1csc2c(SCC(C)C(=O)O)ncnc12.
What is the InChIKey of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The InChIKey is QUEBXRFUOPVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-6-3-16-9-8(6)12-5-13-10(9)17-4-7(2)11(14)15/h3,5,7H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 102686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).