3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one

C15H12N2O2S3 — CID 127033705

IUPAC3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2sccc2c(=O)n1C1CC1)c1cccs1
InChIInChI=1S/C15H12N2O2S3/c18-11(12-2-1-6-20-12)8-22-15-16-13-10(5-7-21-13)14(19)17(15)9-3-4-9/h1-2,5-7,9H,3-4,8H2
InChIKeyALUWLHHURZUGIX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.83
Rot. Bonds5

About 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one

3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 127033705) has the molecular formula C15H12N2O2S3 and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID127033705
Molecular FormulaC15H12N2O2S3
Molecular Weight348.47 g/mol
Exact Mass348.01
IUPAC Name3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESO=C(CSc1nc2sccc2c(=O)n1C1CC1)c1cccs1
InChIInChI=1S/C15H12N2O2S3/c18-11(12-2-1-6-20-12)8-22-15-16-13-10(5-7-21-13)14(19)17(15)9-3-4-9/h1-2,5-7,9H,3-4,8H2
InChIKeyALUWLHHURZUGIX-UHFFFAOYSA-N
XLogP3.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one (CID 127033705) is 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one is O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1cccs1.
What is the InChIKey of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ALUWLHHURZUGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S3/c18-11(12-2-1-6-20-12)8-22-15-16-13-10(5-7-21-13)14(19)17(15)9-3-4-9/h1-2,5-7,9H,3-4,8H2.
What are the key properties of 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one?
3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 348.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127033705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).