4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one

C12H20N4OS — CID 120904117

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one
SMILESCCC1C(=O)N(CC)CCN1Cc1cnc(N)s1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(17)15(4-2)5-6-16(10)8-9-7-14-12(13)18-9/h7,10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyFFXYUBGMHXISGN-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.17
Rot. Bonds4

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one (PubChem CID 120904117) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one
PubChem CID120904117
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one
SMILESCCC1C(=O)N(CC)CCN1Cc1cnc(N)s1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(17)15(4-2)5-6-16(10)8-9-7-14-12(13)18-9/h7,10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyFFXYUBGMHXISGN-UHFFFAOYSA-N
XLogP1.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902160
1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79774466
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79774376
1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
CID 80583223
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901665
5-[[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901371
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one (CID 120904117) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one is CCC1C(=O)N(CC)CCN1Cc1cnc(N)s1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one?
The InChIKey is FFXYUBGMHXISGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-10-11(17)15(4-2)5-6-16(10)8-9-7-14-12(13)18-9/h7,10H,3-6,8H2,1-2H3,(H2,13,14).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one has a molecular weight of 268.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one is sourced from PubChem (CID 120904117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).