7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H14N4O2S2 — CID 71986544

IUPAC7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1NCCN(Cc2cc(=O)n3ccsc3n2)C1c1cccs1
InChIInChI=1S/C15H14N4O2S2/c20-12-8-10(17-15-19(12)5-7-23-15)9-18-4-3-16-14(21)13(18)11-2-1-6-22-11/h1-2,5-8,13H,3-4,9H2,(H,16,21)
InChIKeyFUKBNWCQNIVLMW-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.49
Rot. Bonds3

About 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71986544) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71986544
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1NCCN(Cc2cc(=O)n3ccsc3n2)C1c1cccs1
InChIInChI=1S/C15H14N4O2S2/c20-12-8-10(17-15-19(12)5-7-23-15)9-18-4-3-16-14(21)13(18)11-2-1-6-22-11/h1-2,5-8,13H,3-4,9H2,(H,16,21)
InChIKeyFUKBNWCQNIVLMW-UHFFFAOYSA-N
XLogP1.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71986544) is 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C1NCCN(Cc2cc(=O)n3ccsc3n2)C1c1cccs1.
What is the InChIKey of 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FUKBNWCQNIVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c20-12-8-10(17-15-19(12)5-7-23-15)9-18-4-3-16-14(21)13(18)11-2-1-6-22-11/h1-2,5-8,13H,3-4,9H2,(H,16,21).
What are the key properties of 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 346.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).