1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone

C9H13N3OS — CID 22321785

IUPAC1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCNCC1
InChIInChI=1S/C9H13N3OS/c13-9(5-8-6-14-7-11-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2
InChIKeyKYZVXFDAEMTGIO-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.12
Rot. Bonds2

About 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone

1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone (PubChem CID 22321785) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone
PubChem CID22321785
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCNCC1
InChIInChI=1S/C9H13N3OS/c13-9(5-8-6-14-7-11-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2
InChIKeyKYZVXFDAEMTGIO-UHFFFAOYSA-N
XLogP0.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone (CID 22321785) is 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone is O=C(Cc1cscn1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone?
The InChIKey is KYZVXFDAEMTGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(5-8-6-14-7-11-8)12-3-1-10-2-4-12/h6-7,10H,1-5H2.
What are the key properties of 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone?
1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 22321785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).