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

C9H12N4O2S — CID 62795384

IUPAC4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESNc1nc(CC(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C9H12N4O2S/c10-9-12-6(5-16-9)3-8(15)13-2-1-11-7(14)4-13/h5H,1-4H2,(H2,10,12)(H,11,14)
InChIKeyDURJTMBXLDTGFB-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.77
Rot. Bonds2

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

4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one (PubChem CID 62795384) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
PubChem CID62795384
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESNc1nc(CC(=O)N2CCNC(=O)C2)cs1
InChIInChI=1S/C9H12N4O2S/c10-9-12-6(5-16-9)3-8(15)13-2-1-11-7(14)4-13/h5H,1-4H2,(H2,10,12)(H,11,14)
InChIKeyDURJTMBXLDTGFB-UHFFFAOYSA-N
XLogP-0.77
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 62799079
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074040
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-1,4-diazepan-5-one
CID 62047463

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one (CID 62795384) is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one is Nc1nc(CC(=O)N2CCNC(=O)C2)cs1.
What is the InChIKey of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The InChIKey is DURJTMBXLDTGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-9-12-6(5-16-9)3-8(15)13-2-1-11-7(14)4-13/h5H,1-4H2,(H2,10,12)(H,11,14).
What are the key properties of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one has a molecular weight of 240.29 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 62795384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).