1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one

C12H11N3O2S2 — CID 7889279

IUPAC1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H11N3O2S2/c16-9-2-1-4-15(9)10(17)6-19-12-8-3-5-18-11(8)13-7-14-12/h3,5,7H,1-2,4,6H2
InChIKeyYALZHVCTNMTYFH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.93
Rot. Bonds3

About 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one

1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one (PubChem CID 7889279) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one
PubChem CID7889279
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H11N3O2S2/c16-9-2-1-4-15(9)10(17)6-19-12-8-3-5-18-11(8)13-7-14-12/h3,5,7H,1-2,4,6H2
InChIKeyYALZHVCTNMTYFH-UHFFFAOYSA-N
XLogP1.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one (CID 7889279) is 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1ncnc2sccc12.
What is the InChIKey of 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one?
The InChIKey is YALZHVCTNMTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c16-9-2-1-4-15(9)10(17)6-19-12-8-3-5-18-11(8)13-7-14-12/h3,5,7H,1-2,4,6H2.
What are the key properties of 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one?
1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one is sourced from PubChem (CID 7889279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).