2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid

C11H12N2O3S2 — CID 7174412

IUPAC2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESCCc1cc2c(=O)n(C)c(SCC(=O)O)nc2s1
InChIInChI=1S/C11H12N2O3S2/c1-3-6-4-7-9(18-6)12-11(13(2)10(7)16)17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyCZVHDLPUBKGJNA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.73
Rot. Bonds4

About 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid

2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid (PubChem CID 7174412) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
PubChem CID7174412
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
SMILESCCc1cc2c(=O)n(C)c(SCC(=O)O)nc2s1
InChIInChI=1S/C11H12N2O3S2/c1-3-6-4-7-9(18-6)12-11(13(2)10(7)16)17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyCZVHDLPUBKGJNA-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid (CID 7174412) is 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid is CCc1cc2c(=O)n(C)c(SCC(=O)O)nc2s1.
What is the InChIKey of 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is CZVHDLPUBKGJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-3-6-4-7-9(18-6)12-11(13(2)10(7)16)17-5-8(14)15/h4H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid?
2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 7174412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).