4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one

C12H13N3OS2 — CID 8549457

IUPAC4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2csc(-c3ccsc3)n2)CCN1
InChIInChI=1S/C12H13N3OS2/c16-11-6-15(3-2-13-11)5-10-8-18-12(14-10)9-1-4-17-7-9/h1,4,7-8H,2-3,5-6H2,(H,13,16)
InChIKeyDMQIVFYDIJMJRL-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.80
Rot. Bonds3

About 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one

4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one (PubChem CID 8549457) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one
PubChem CID8549457
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2csc(-c3ccsc3)n2)CCN1
InChIInChI=1S/C12H13N3OS2/c16-11-6-15(3-2-13-11)5-10-8-18-12(14-10)9-1-4-17-7-9/h1,4,7-8H,2-3,5-6H2,(H,13,16)
InChIKeyDMQIVFYDIJMJRL-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one (CID 8549457) is 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one is O=C1CN(Cc2csc(-c3ccsc3)n2)CCN1.
What is the InChIKey of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The InChIKey is DMQIVFYDIJMJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c16-11-6-15(3-2-13-11)5-10-8-18-12(14-10)9-1-4-17-7-9/h1,4,7-8H,2-3,5-6H2,(H,13,16).
What are the key properties of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one has a molecular weight of 279.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 8549457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).