1-(1,3-thiazol-4-ylmethyl)piperazin-2-one

C8H11N3OS — CID 54013922

IUPAC1-(1,3-thiazol-4-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1Cc1cscn1
InChIInChI=1S/C8H11N3OS/c12-8-3-9-1-2-11(8)4-7-5-13-6-10-7/h5-6,9H,1-4H2
InChIKeyKUHBCDGXQXXAAQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.07
Rot. Bonds2

About 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one

1-(1,3-thiazol-4-ylmethyl)piperazin-2-one (PubChem CID 54013922) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)piperazin-2-one
PubChem CID54013922
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(1,3-thiazol-4-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1Cc1cscn1
InChIInChI=1S/C8H11N3OS/c12-8-3-9-1-2-11(8)4-7-5-13-6-10-7/h5-6,9H,1-4H2
InChIKeyKUHBCDGXQXXAAQ-UHFFFAOYSA-N
XLogP0.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one (CID 54013922) is 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one is O=C1CNCCN1Cc1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one?
The InChIKey is KUHBCDGXQXXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-8-3-9-1-2-11(8)4-7-5-13-6-10-7/h5-6,9H,1-4H2.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one?
1-(1,3-thiazol-4-ylmethyl)piperazin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 54013922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).