1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone

C10H15N3OS — CID 58137805

IUPAC1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CNCCN2C)n1
InChIInChI=1S/C10H15N3OS/c1-7(14)8-6-15-10(12-8)9-5-11-3-4-13(9)2/h6,9,11H,3-5H2,1-2H3
InChIKeyRWNRIUBCEVENBE-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.92
Rot. Bonds2

About 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 58137805) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID58137805
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CNCCN2C)n1
InChIInChI=1S/C10H15N3OS/c1-7(14)8-6-15-10(12-8)9-5-11-3-4-13(9)2/h6,9,11H,3-5H2,1-2H3
InChIKeyRWNRIUBCEVENBE-UHFFFAOYSA-N
XLogP0.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone (CID 58137805) is 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2CNCCN2C)n1.
What is the InChIKey of 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is RWNRIUBCEVENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)8-6-15-10(12-8)9-5-11-3-4-13(9)2/h6,9,11H,3-5H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 58137805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).