4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one

C13H22N4OS — CID 63607199

IUPAC4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C13H22N4OS/c1-9-11(18)14-5-6-17(9)12-15-7-10(19-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyFGCSWLVSBSYLNA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.36
Rot. Bonds3

About 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one

4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one (PubChem CID 63607199) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
PubChem CID63607199
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C13H22N4OS/c1-9-11(18)14-5-6-17(9)12-15-7-10(19-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyFGCSWLVSBSYLNA-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazine-2,6-dione
CID 66075448
3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
CID 63602619
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62754591
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63163672
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazin-2-one
CID 80834898
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55162913
4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-2-one
CID 104844062
4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
CID 103333694
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
CID 113367834

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one (CID 63607199) is 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one?
The InChIKey is FGCSWLVSBSYLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9-11(18)14-5-6-17(9)12-15-7-10(19-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3,(H,14,18).
What are the key properties of 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one?
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one has a molecular weight of 282.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).