2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid

C15H12N2O3S2 — CID 162672607

IUPAC2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccccc1-c1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C15H12N2O3S2/c1-20-11-5-3-2-4-9(11)12-6-10-14(21-7-13(18)19)16-8-17-15(10)22-12/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyODQJHYVVOZLCDH-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.54
Rot. Bonds5

About 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid

2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 162672607) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
PubChem CID162672607
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccccc1-c1cc2c(SCC(=O)O)ncnc2s1
InChIInChI=1S/C15H12N2O3S2/c1-20-11-5-3-2-4-9(11)12-6-10-14(21-7-13(18)19)16-8-17-15(10)22-12/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyODQJHYVVOZLCDH-UHFFFAOYSA-N
XLogP3.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid (CID 162672607) is 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid is COc1ccccc1-c1cc2c(SCC(=O)O)ncnc2s1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is ODQJHYVVOZLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-20-11-5-3-2-4-9(11)12-6-10-14(21-7-13(18)19)16-8-17-15(10)22-12/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 332.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 162672607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).