2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone

C13H22N4OS — CID 62797698

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-16(5-7-17)11(18)8-10-9-19-12(14)15-10/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyXWTRUSYSPKEPPG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone (PubChem CID 62797698) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
PubChem CID62797698
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)Cc2csc(N)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-16(5-7-17)11(18)8-10-9-19-12(14)15-10/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyXWTRUSYSPKEPPG-UHFFFAOYSA-N
XLogP1.21
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66371406
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-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 61428012

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone (CID 62797698) is 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone is CC(C)(C)N1CCN(C(=O)Cc2csc(N)n2)CC1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
The InChIKey is XWTRUSYSPKEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)17-6-4-16(5-7-17)11(18)8-10-9-19-12(14)15-10/h9H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone has a molecular weight of 282.41 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62797698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).