3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

C18H20N4O2S2 — CID 24643498

IUPAC3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(CCn1cnc2sccc2c1=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H20N4O2S2/c23-16(1-4-22-13-19-17-15(18(22)24)3-10-26-17)21-7-5-20(6-8-21)11-14-2-9-25-12-14/h2-3,9-10,12-13H,1,4-8,11H2
InChIKeyAZGVBNCQTDNOSH-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.25
Rot. Bonds5

About 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 24643498) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID24643498
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=C(CCn1cnc2sccc2c1=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H20N4O2S2/c23-16(1-4-22-13-19-17-15(18(22)24)3-10-26-17)21-7-5-20(6-8-21)11-14-2-9-25-12-14/h2-3,9-10,12-13H,1,4-8,11H2
InChIKeyAZGVBNCQTDNOSH-UHFFFAOYSA-N
XLogP2.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one (CID 24643498) is 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one is O=C(CCn1cnc2sccc2c1=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AZGVBNCQTDNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-16(1-4-22-13-19-17-15(18(22)24)3-10-26-17)21-7-5-20(6-8-21)11-14-2-9-25-12-14/h2-3,9-10,12-13H,1,4-8,11H2.
What are the key properties of 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one?
3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 388.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24643498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).