2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

C12H7ClN2O2S3 — CID 56665623

IUPAC2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3ccc(Cl)s3)sc12
InChIInChI=1S/C12H7ClN2O2S3/c13-9-2-1-7(19-9)8-3-6-11(20-8)12(15-5-14-6)18-4-10(16)17/h1-3,5H,4H2,(H,16,17)
InChIKeyUOAGMKONDXWVFY-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.25
Rot. Bonds4

About 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 56665623) has the molecular formula C12H7ClN2O2S3 and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
PubChem CID56665623
Molecular FormulaC12H7ClN2O2S3
Molecular Weight342.85 g/mol
Exact Mass341.94
IUPAC Name2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3ccc(Cl)s3)sc12
InChIInChI=1S/C12H7ClN2O2S3/c13-9-2-1-7(19-9)8-3-6-11(20-8)12(15-5-14-6)18-4-10(16)17/h1-3,5H,4H2,(H,16,17)
InChIKeyUOAGMKONDXWVFY-UHFFFAOYSA-N
XLogP4.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (CID 56665623) is 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is O=C(O)CSc1ncnc2cc(-c3ccc(Cl)s3)sc12.
What is the InChIKey of 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is UOAGMKONDXWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S3/c13-9-2-1-7(19-9)8-3-6-11(20-8)12(15-5-14-6)18-4-10(16)17/h1-3,5H,4H2,(H,16,17).
What are the key properties of 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 342.85 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chlorothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 56665623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).