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

C9H11N3O2S — CID 110475971

IUPAC4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)Cc2cscn2)CCN1
InChIInChI=1S/C9H11N3O2S/c13-8-4-12(2-1-10-8)9(14)3-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13)
InChIKeyBNRFMCSYCFIAOR-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.36
Rot. Bonds2

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

4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one (PubChem CID 110475971) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
PubChem CID110475971
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)Cc2cscn2)CCN1
InChIInChI=1S/C9H11N3O2S/c13-8-4-12(2-1-10-8)9(14)3-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13)
InChIKeyBNRFMCSYCFIAOR-UHFFFAOYSA-N
XLogP-0.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475980
4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
CID 65361208
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 141149207
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
CID 24700108
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one (CID 110475971) is 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)Cc2cscn2)CCN1.
What is the InChIKey of 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The InChIKey is BNRFMCSYCFIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8-4-12(2-1-10-8)9(14)3-7-5-15-6-11-7/h5-6H,1-4H2,(H,10,13).
What are the key properties of 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one has a molecular weight of 225.27 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 110475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).