2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid

C10H10N2O2S2 — CID 64914745

IUPAC2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
SMILESCC(CSc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C10H10N2O2S2/c1-6(10(13)14)4-16-9-7-2-3-15-8(7)11-5-12-9/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWEOZKUQGBZUTJV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid

2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid (PubChem CID 64914745) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
PubChem CID64914745
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
SMILESCC(CSc1ncnc2sccc12)C(=O)O
InChIInChI=1S/C10H10N2O2S2/c1-6(10(13)14)4-16-9-7-2-3-15-8(7)11-5-12-9/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWEOZKUQGBZUTJV-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid?
The IUPAC name of 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid (CID 64914745) is 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid?
The canonical SMILES for 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid is CC(CSc1ncnc2sccc12)C(=O)O.
What is the InChIKey of 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid?
The InChIKey is WEOZKUQGBZUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-6(10(13)14)4-16-9-7-2-3-15-8(7)11-5-12-9/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid?
2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid has a molecular weight of 254.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid is sourced from PubChem (CID 64914745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).