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

C10H14N4O2S — CID 64682031

IUPAC4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)Cc2csc(N)n2)CC1=O
InChIInChI=1S/C10H14N4O2S/c1-13-2-3-14(5-9(13)16)8(15)4-7-6-17-10(11)12-7/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyUFSMCLSAQIJDCI-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.43
Rot. Bonds2

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

4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one (PubChem CID 64682031) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
PubChem CID64682031
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)Cc2csc(N)n2)CC1=O
InChIInChI=1S/C10H14N4O2S/c1-13-2-3-14(5-9(13)16)8(15)4-7-6-17-10(11)12-7/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyUFSMCLSAQIJDCI-UHFFFAOYSA-N
XLogP-0.43
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 62799079
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66371406
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074040
1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981515
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155
N-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-methyl-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
CID 167925048
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one (CID 64682031) is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)Cc2csc(N)n2)CC1=O.
What is the InChIKey of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one?
The InChIKey is UFSMCLSAQIJDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13-2-3-14(5-9(13)16)8(15)4-7-6-17-10(11)12-7/h6H,2-5H2,1H3,(H2,11,12).
What are the key properties of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one?
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one has a molecular weight of 254.31 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 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]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).