3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one

C17H16N4O2S2 — CID 53168631

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one
SMILESO=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)N1CCCC1
InChIInChI=1S/C17H16N4O2S2/c22-15(20-5-1-2-6-20)9-21-11-18-8-12(17(21)23)16-19-13(10-25-16)14-4-3-7-24-14/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyPMUHWCAJYZOQLB-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.72
Rot. Bonds4

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one

3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one (PubChem CID 53168631) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one
PubChem CID53168631
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one
SMILESO=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)N1CCCC1
InChIInChI=1S/C17H16N4O2S2/c22-15(20-5-1-2-6-20)9-21-11-18-8-12(17(21)23)16-19-13(10-25-16)14-4-3-7-24-14/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyPMUHWCAJYZOQLB-UHFFFAOYSA-N
XLogP2.72
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one (CID 53168631) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one is O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one?
The InChIKey is PMUHWCAJYZOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c22-15(20-5-1-2-6-20)9-21-11-18-8-12(17(21)23)16-19-13(10-25-16)14-4-3-7-24-14/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one has a molecular weight of 372.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-4-one is sourced from PubChem (CID 53168631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).