2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone

C11H12N4OS2 — CID 60733654

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
SMILESNc1nc(SCC(=O)N2CCC2)nc2sccc12
InChIInChI=1S/C11H12N4OS2/c12-9-7-2-5-17-10(7)14-11(13-9)18-6-8(16)15-3-1-4-15/h2,5H,1,3-4,6H2,(H2,12,13,14)
InChIKeyZDAIYHNSRZJURI-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.60
Rot. Bonds3

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone (PubChem CID 60733654) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
PubChem CID60733654
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
SMILESNc1nc(SCC(=O)N2CCC2)nc2sccc12
InChIInChI=1S/C11H12N4OS2/c12-9-7-2-5-17-10(7)14-11(13-9)18-6-8(16)15-3-1-4-15/h2,5H,1,3-4,6H2,(H2,12,13,14)
InChIKeyZDAIYHNSRZJURI-UHFFFAOYSA-N
XLogP1.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone (CID 60733654) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone is Nc1nc(SCC(=O)N2CCC2)nc2sccc12.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone?
The InChIKey is ZDAIYHNSRZJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c12-9-7-2-5-17-10(7)14-11(13-9)18-6-8(16)15-3-1-4-15/h2,5H,1,3-4,6H2,(H2,12,13,14).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone has a molecular weight of 280.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone is sourced from PubChem (CID 60733654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).