2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one

C18H17N3O2S2 — CID 3241235

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-15(20-9-4-5-10-20)12-25-18-19-14-8-11-24-16(14)17(23)21(18)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
InChIKeyJLSMRJWFYKWKND-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 3241235) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID3241235
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-15(20-9-4-5-10-20)12-25-18-19-14-8-11-24-16(14)17(23)21(18)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
InChIKeyJLSMRJWFYKWKND-UHFFFAOYSA-N
XLogP3.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one (CID 3241235) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one is O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is JLSMRJWFYKWKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c22-15(20-9-4-5-10-20)12-25-18-19-14-8-11-24-16(14)17(23)21(18)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 371.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3241235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).